| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 69.6 | Low | 64.3 | Low | 28 Ų | 28 | 102.6 Ų | 102.6 | 14% | 0.138 | 52% | 0.515 | C | S | . | . | 0 | -55.8 | 0 | -160.8 | 167.6 | -80.5 | 0 | 0 | 111.7 | K3 L4 L5 I26 I31 I34 E35 L37 L46 | M1-K3 VanDerWaalsContact C-N 3.26Å; M1-K3 PolarHBondContact O-N 2.97Å; M1-L4 WeakPolarHBondContact O-CA 3.4Å; M1-L4 WeakPolarHBondContact O-CB 3.48Å; M1-L4 PolarHBondContact O-N 3.5Å; M1-L5 HydrophobicContact CG-CD1 3.81Å; M1-L5 HydrophobicContact CG-CD2 4.37Å; M1-L5 HydrophobicContact CG-CG 3.88Å; M1-L5 PolarHBondContact O-N 3.29Å; M1-L5 VanDerWaalsContact O-N 3.17Å; M1-L5 HydrophobicContact SD-CD1 4.31Å; M1-I26 HydrophobicContact CE-CD1 3.73Å; M1-I31 HydrophobicContact CB-CG2 4.34Å; M1-I31 HydrophobicContact CE-CD1 4.09Å; M1-I31 HydrophobicContact CE-CG2 4.21Å; M1-I34 HydrophobicContact CE-CB 4.36Å; M1-I34 HydrophobicContact CE-CG1 4.46Å; M1-I34 HydrophobicContact CE-CG2 4.09Å; M1-I34 HydrophobicContact SD-CG2 4.4Å; M1-E35 HydrophobicContact CB-CB 4.2Å; M1-E35 HydrophobicContact CB-CG 4.17Å; M1-E35 HydrophobicContact CG-CB 4.31Å; M1-E35 HydrophobicContact SD-CB 3.97Å; M1-E35 PolarHBondContact SD-N 2.88Å; M1-L37 HydrophobicContact CE-CD1 4.34Å; M1-L37 HydrophobicContact CE-CD2 4.07Å; M1-L37 HydrophobicContact CE-CG 4.36Å; M1-L37 HydrophobicContact SD-CD2 3.63Å; M1-L37 HydrophobicContact SD-CG 4Å; M1-L46 HydrophobicContact CE-CD2 4.29Å | |||
| 2 | R | 70 | Confident | 64.9 | Low | 189 Ų | 189 | 95.1 Ų | 95.1 | 71% | 0.713 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -42.4 | -39 | -176.9 | -137.3 | 174.6 | -69.4 | -165.8 | -4.2 | 117.2 | G6 E35 | R2-G6 PolarHBondContact O-N 3.32Å; R2-E35 WeakPolarHBondContact CA-OE2 3.47Å; R2-E35 WeakPolarHBondContact CB-OE2 3.4Å; R2-E35 WeakPolarHBondContact CG-OE2 3.39Å; R2-E35 IonicContact CZ-OE1 3.16Å; R2-E35 PolarHBondContact N-OE2 2.94Å; R2-E35 IonicContact NE-OE1 2.63Å; R2-E35 PolarHBondContact NE-OE1 3.13Å; R2-E35 IonicContact NE-OE2 3.17Å; R2-E35 IonicContact NH2-OE1 2.75Å; R2-E35 PolarHBondContact NH2-OE1 3.43Å |
| 3 | K | 70.5 | Confident | 65.6 | Low | 191 Ų | 191 | 93.2 Ų | 93.2 | 83% | 0.83 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66 | -37.4 | 175.9 | -70.8 | -172 | 176.6 | -175.7 | 0 | 113.8 | M1 | M1-K3 VanDerWaalsContact C-N 3.26Å; M1-K3 PolarHBondContact O-N 2.97Å |
| 4 | L | 67.7 | Low | 66.7 | Low | 44 Ų | 44 | 91.6 Ų | 91.6 | 23% | 0.23 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -72.1 | -47.8 | 174.7 | -71.2 | 158.5 | 0 | 0 | 0 | 110.3 | M1 G6 Q7 L12 I31 | M1-L4 WeakPolarHBondContact O-CA 3.4Å; M1-L4 WeakPolarHBondContact O-CB 3.48Å; M1-L4 PolarHBondContact O-N 3.5Å; L4-G6 PolarHBondContact O-N 3.01Å; L4-Q7 WeakPolarHBondContact O-CB 3.42Å; L4-Q7 PolarHBondContact O-N 3.48Å; L4-L12 HydrophobicContact CB-CD2 4.18Å; L4-I31 HydrophobicContact CD1-CD1 4.06Å; L4-I31 HydrophobicContact CD1-CG1 4.31Å |
| 5 | L | 67.8 | Low | 67.9 | Low | 29 Ų | 29 | 94.5 Ų | 94.5 | 15% | 0.152 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -61.4 | -32.3 | 177.9 | -59 | -175.9 | 0 | 0 | 0 | 112.2 | M1 Q7 G8 F9 L12 E35 | M1-L5 HydrophobicContact CG-CD1 3.81Å; M1-L5 HydrophobicContact CG-CD2 4.37Å; M1-L5 HydrophobicContact CG-CG 3.88Å; M1-L5 PolarHBondContact O-N 3.29Å; M1-L5 VanDerWaalsContact O-N 3.17Å; M1-L5 HydrophobicContact SD-CD1 4.31Å; L5-Q7 VanDerWaalsContact C-N 3.3Å; L5-Q7 PolarHBondContact O-N 3.13Å; L5-G8 PolarHBondContact O-N 2.85Å; L5-F9 HydrophobicContact CD2-CD1 4.33Å; L5-F9 HydrophobicContact CD2-CE1 3.66Å; L5-F9 HydrophobicContact CD2-CZ 4.18Å; L5-L12 HydrophobicContact CD2-CD1 3.88Å; L5-L12 HydrophobicContact CD2-CD2 4.39Å; L5-E35 HydrophobicContact CD1-CB 4.38Å |
| 6 | G | 61.8 | Low | 68.9 | Low | 67 Ų | 67 | 95.6 Ų | 95.6 | 69% | 0.691 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -11.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R2 L4 G8 | R2-G6 PolarHBondContact O-N 3.32Å; L4-G6 PolarHBondContact O-N 3.01Å; G6-G8 VanDerWaalsContact C-N 3.33Å |
| 7 | Q | 60.4 | Low | 69.7 | Low | 133 Ų | 133 | 90.3 Ų | 90.3 | 62% | 0.621 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -28.5 | 168 | -70.1 | 171.7 | -44 | 0 | 0 | 110.8 | L4 L5 D11 | L4-Q7 WeakPolarHBondContact O-CB 3.42Å; L4-Q7 PolarHBondContact O-N 3.48Å; L5-Q7 VanDerWaalsContact C-N 3.3Å; L5-Q7 PolarHBondContact O-N 3.13Å; Q7-D11 HydrophobicContact CB-CB 4.48Å |
| 8 | G | 56.6 | Low | 70.3 | Confident | 26 Ų | 26 | 91.2 Ų | 91.2 | 27% | 0.268 | 47% | 0.474 | S | S | . | . | trans | 122.9 | 144.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L5 G6 Q10 D11 | L5-G8 PolarHBondContact O-N 2.85Å; G6-G8 VanDerWaalsContact C-N 3.33Å; G8-Q10 PolarHBondContact O-N 2.84Å; G8-D11 PolarHBondContact O-N 3.3Å; G8-D11 VanDerWaalsContact O-N 3.08Å | ||
| 9 | F | 58.6 | Low | 70.9 | Confident | 111 Ų | 111 | 93.4 Ų | 93.4 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -63.9 | -24.6 | -178.2 | -74.3 | -78 | 0 | 0 | 0 | 113.7 | L5 D11 L12 P38 | L5-F9 HydrophobicContact CD2-CD1 4.33Å; L5-F9 HydrophobicContact CD2-CE1 3.66Å; L5-F9 HydrophobicContact CD2-CZ 4.18Å; F9-D11 PolarHBondContact O-N 2.97Å; F9-L12 HydrophobicContact CD1-CD1 3.63Å; F9-L12 HydrophobicContact CE1-CD1 4.2Å; F9-L12 PolarHBondContact O-N 3.23Å; F9-P38 HydrophobicContact CD1-CG 4.2Å; F9-P38 HydrophobicContact CE1-CG 4.15Å |
| 10 | Q | 59.4 | Low | 71.5 | Confident | 195 Ų | 195 | 91 Ų | 91 | 91% | 0.911 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -68.3 | -23.3 | 175.8 | -66.8 | -179 | -3.4 | 0 | 0 | 112.7 | G8 | G8-Q10 PolarHBondContact O-N 2.84Š|
| 11 | D | 64.3 | Low | 72.3 | Confident | 116 Ų | 116 | 88 Ų | 88 | 62% | 0.62 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -91.4 | -3.4 | 179.6 | -63.4 | -9.8 | 0 | 0 | 0 | 112.5 | Q7 G8 F9 | Q7-D11 HydrophobicContact CB-CB 4.48Å; G8-D11 PolarHBondContact O-N 3.3Å; G8-D11 VanDerWaalsContact O-N 3.08Å; F9-D11 PolarHBondContact O-N 2.97Å |
| 12 | L | 71.5 | Confident | 73.3 | Confident | 12 Ų | 12 | 89.2 Ų | 89.2 | 6% | 0.063 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -72.2 | 136.9 | 174.9 | -71.6 | -179.9 | 0 | 0 | 0 | 110.5 | L4 L5 F9 T14 L24 I26 | L4-L12 HydrophobicContact CB-CD2 4.18Å; L5-L12 HydrophobicContact CD2-CD1 3.88Å; L5-L12 HydrophobicContact CD2-CD2 4.39Å; F9-L12 HydrophobicContact CD1-CD1 3.63Å; F9-L12 HydrophobicContact CE1-CD1 4.2Å; F9-L12 PolarHBondContact O-N 3.23Å; L12-T14 VanDerWaalsContact C-N 3.28Å; L12-T14 PolarHBondContact O-N 3.37Å; L12-T14 PolarHBondContact O-OG1 3.33Å; L12-L24 HydrophobicContact CB-CD1 3.81Å; L12-L24 HydrophobicContact CD1-CD1 4.04Å; L12-L24 HydrophobicContact CD1-CD2 4.42Å; L12-L24 HydrophobicContact CG-CD1 4.42Å; L12-I26 HydrophobicContact CD2-CG2 4.37Å |
| 13 | P | 74.2 | Confident | 74.4 | Confident | 70 Ų | 70 | 81.3 Ų | 81.3 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | trans | -63.4 | 86.4 | 175.7 | 27.7 | -37.3 | 0 | 0 | 0 | 111.2 | N25 I26 | P13-N25 WeakPolarHBondContact CG-O 3.37Å; P13-N25 PolarHBondContact O-N 3.23Å; P13-I26 HydrophobicContact CG-CG2 3.84Å | ||
| 14 | T | 81.6 | Confident | 75.5 | Confident | 71 Ų | 71 | 72.3 Ų | 72.3 | 44% | 0.436 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128.6 | -173.8 | -47.5 | 0 | 0 | 0 | 0 | 108.9 | L12 I22 T23 | L12-T14 VanDerWaalsContact C-N 3.28Å; L12-T14 PolarHBondContact O-N 3.37Å; L12-T14 PolarHBondContact O-OG1 3.33Å; T14-I22 HydrophobicContact CG2-CG2 3.65Å; T14-T23 CarbonylContact C-O 3.39Å; T14-T23 VanDerWaalsContact CA-O 3.23Å; T14-T23 WeakPolarHBondContact CA-O 3.46Å |
| 15 | F | 84.3 | Confident | 76.6 | Confident | 135 Ų | 135 | 73.6 Ų | 73.6 | 59% | 0.592 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 140.2 | 177.8 | 176.6 | -104.8 | 0 | 0 | 0 | 109.4 | T23 | F15-T23 PolarHBondContact N-O 3.24Å; F15-T23 PolarHBondContact O-N 3.17Å |
| 16 | I | 84.2 | Confident | 77.7 | Confident | 112 Ų | 112 | 72.3 Ų | 72.3 | 57% | 0.574 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 115 | 172.9 | -57.6 | 178 | 0 | 0 | 0 | 106.8 | E21 | I16-E21 CarbonylContact C-O 3.55Å; I16-E21 WeakPolarHBondContact CA-O 3.49Å |
| 17 | G | 81.7 | Confident | 79.2 | Confident | 6 Ų | 6 | 70.3 Ų | 70.3 | 6% | 0.062 | 39% | 0.386 | C | S | . | . | trans | -70 | 171 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N19 G20 E21 | G17-N19 PolarHBondContact O-N 3.32Å; G17-N19 VanDerWaalsContact O-N 3.12Å; G17-G20 PolarHBondContact O-N 3.47Å; G17-E21 PolarHBondContact N-O 3.01Å | ||
| 18 | P | 80.3 | Confident | 80.7 | Confident | 107 Ų | 107 | 73 Ų | 73 | 70% | 0.695 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -30 | -175.2 | 25.1 | -34.3 | 0 | 0 | 0 | 112.8 | G20 | P18-G20 VanDerWaalsContact C-N 3.31Å; P18-G20 PolarHBondContact O-N 2.99Å |
| 19 | N | 81.8 | Confident | 82.3 | Confident | 132 Ų | 132 | 74 Ų | 74 | 71% | 0.706 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 11.4 | 179.5 | -61.1 | -13.9 | 0 | 0 | 0 | 113.3 | G17 E21 | G17-N19 PolarHBondContact O-N 3.32Å; G17-N19 VanDerWaalsContact O-N 3.12Å; N19-E21 VanDerWaalsContact C-N 3.3Å; N19-E21 PolarHBondContact O-N 3.08Å |
| 20 | G | 83.4 | Confident | 83.7 | Confident | 45 Ų | 45 | 70.9 Ų | 70.9 | 46% | 0.464 | 39% | 0.393 | S | S | . | . | S | Bend | trans | 80.6 | 4.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | G17 P18 | G17-G20 PolarHBondContact O-N 3.47Å; P18-G20 VanDerWaalsContact C-N 3.31Å; P18-G20 PolarHBondContact O-N 2.99Å |
| 21 | E | 88.9 | Confident | 85.1 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 14% | 0.14 | 35% | 0.35 | C | S | . | . | trans | -66.4 | 130.9 | -179.9 | 67.1 | -165.6 | 162 | 0 | 0 | 112 | I16 G17 N19 N42 H622 | I16-E21 CarbonylContact C-O 3.55Å; I16-E21 WeakPolarHBondContact CA-O 3.49Å; G17-E21 PolarHBondContact N-O 3.01Å; N19-E21 VanDerWaalsContact C-N 3.3Å; N19-E21 PolarHBondContact O-N 3.08Å; E21-N42 WeakPolarHBondContact CA-OD1 3.2Å; E21-N42 HydrophobicContact CB-CB 4.03Å; E21-H622 IonicContact OE1-CE1 3.04Å; E21-H622 PolarHBondContact OE1-CE1 3.13Å; E21-H622 IonicContact OE1-NE2 2.82Å | ||
| 22 | I | 91.2 | Very high | 86.4 | Confident | 53 Ų | 53 | 61.8 Ų | 61.8 | 27% | 0.272 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 113.3 | -178.1 | -61.7 | 179 | 0 | 0 | 0 | 109.4 | T14 N40 N42 V43 | T14-I22 HydrophobicContact CG2-CG2 3.65Å; I22-N40 WeakPolarHBondContact CB-O 3.46Å; I22-N40 HydrophobicContact CD1-CB 4.33Å; I22-N42 PolarHBondContact N-OD1 3.45Å; I22-N42 PolarHBondContact O-N 3.02Å; I22-V43 PolarHBondContact O-N 2.92Å |
| 23 | T | 93 | Very high | 87.1 | Confident | 22 Ų | 22 | 63.6 Ų | 63.6 | 14% | 0.135 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 119.5 | 176 | -60.6 | 0 | 0 | 0 | 0 | 110.6 | T14 F15 V43 I45 | T14-T23 CarbonylContact C-O 3.39Å; T14-T23 VanDerWaalsContact CA-O 3.23Å; T14-T23 WeakPolarHBondContact CA-O 3.46Å; F15-T23 PolarHBondContact N-O 3.24Å; F15-T23 PolarHBondContact O-N 3.17Å; T23-V43 CarbonylContact C-O 3.59Å; T23-V43 WeakPolarHBondContact CA-O 3.5Å; T23-V43 HydrophobicContact CG2-CB 4Å; T23-V43 HydrophobicContact CG2-CG1 3.85Å; T23-I45 HydrophobicContact CG2-CD1 4.35Å |
| 24 | L | 92.2 | Very high | 87.7 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 113.1 | 169.2 | 177.2 | 61 | 0 | 0 | 0 | 109.9 | L12 I26 L37 I41 V43 L44 I45 | L12-L24 HydrophobicContact CB-CD1 3.81Å; L12-L24 HydrophobicContact CD1-CD1 4.04Å; L12-L24 HydrophobicContact CD1-CD2 4.42Å; L12-L24 HydrophobicContact CG-CD1 4.42Å; L24-I26 HydrophobicContact CD1-CG2 3.9Å; L24-I26 HydrophobicContact CD2-CD1 4.22Å; L24-I26 HydrophobicContact CG-CD1 4.49Å; L24-I26 HydrophobicContact CG-CG1 4.34Å; L24-I26 HydrophobicContact CG-CG2 4.28Å; L24-L37 HydrophobicContact CD2-CD2 3.81Å; L24-I41 HydrophobicContact CB-CD1 3.99Å; L24-I41 HydrophobicContact CB-CG1 4.28Å; L24-I41 HydrophobicContact CB-CG2 4.15Å; L24-I41 HydrophobicContact CD2-CD1 3.57Å; L24-I41 HydrophobicContact CG-CD1 4.43Å; L24-V43 PolarHBondContact N-O 3.16Å; L24-L44 HydrophobicContact CB-CD1 4.24Å; L24-L44 HydrophobicContact CD2-CD1 4.08Å; L24-L44 HydrophobicContact CG-CD1 4.22Å; L24-I45 PolarHBondContact O-N 3.49Å |
| 25 | N | 91.6 | Very high | 87.7 | Confident | 71 Ų | 71 | 58.6 Ų | 58.6 | 38% | 0.38 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 92.3 | -179.3 | -175.2 | -1.8 | 0 | 0 | 0 | 112.6 | P13 A27 I45 | P13-N25 WeakPolarHBondContact CG-O 3.37Å; P13-N25 PolarHBondContact O-N 3.23Å; N25-A27 WeakPolarHBondContact OD1-CB 3.47Å; N25-A27 PolarHBondContact OD1-N 3.06Å; N25-I45 HydrophobicContact CB-CB 4.25Å; N25-I45 HydrophobicContact CB-CD1 4.2Å |
| 26 | I | 91 | Very high | 87.6 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.015 | 33% | 0.327 | C | S | . | . | trans | -112.1 | 38.9 | 178.3 | 51.2 | 172.6 | 0 | 0 | 0 | 111.1 | M1 L12 P13 L24 S29 I31 L37 I45 L46 N49 | M1-I26 HydrophobicContact CE-CD1 3.73Å; L12-I26 HydrophobicContact CD2-CG2 4.37Å; P13-I26 HydrophobicContact CG-CG2 3.84Å; L24-I26 HydrophobicContact CD1-CG2 3.9Å; L24-I26 HydrophobicContact CD2-CD1 4.22Å; L24-I26 HydrophobicContact CG-CD1 4.49Å; L24-I26 HydrophobicContact CG-CG1 4.34Å; L24-I26 HydrophobicContact CG-CG2 4.28Å; I26-S29 VanDerWaalsContact O-CB 3.31Å; I26-S29 WeakPolarHBondContact O-CB 3.48Å; I26-S29 PolarHBondContact O-OG 3.11Å; I26-I31 HydrophobicContact CB-CD1 4.27Å; I26-I31 HydrophobicContact CD1-CD1 3.83Å; I26-I31 HydrophobicContact CG1-CD1 4.27Å; I26-L37 HydrophobicContact CD1-CD2 4.5Å; I26-I45 CarbonylContact C-O 3.55Å; I26-I45 PolarHBondContact N-O 3.11Å; I26-L46 HydrophobicContact CD1-CD2 3.72Å; I26-L46 HydrophobicContact CG1-CD2 3.81Å; I26-N49 PolarHBondContact O-ND2 3.34Å | ||
| 27 | A | 92.5 | Very high | 87.6 | Confident | 25 Ų | 25 | 52 Ų | 52 | 21% | 0.207 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 157.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N25 S29 I45 D47 | N25-A27 WeakPolarHBondContact OD1-CB 3.47Å; N25-A27 PolarHBondContact OD1-N 3.06Å; A27-S29 PolarHBondContact O-N 3.49Å; A27-S29 PolarHBondContact O-OG 2.95Å; A27-I45 HydrophobicContact CB-CG2 4.27Å; A27-I45 PolarHBondContact N-O 3.14Å; A27-D47 CarbonylContact C-O 3.52Å; A27-D47 WeakPolarHBondContact CA-O 3.45Å; A27-D47 HydrophobicContact CB-CB 4.14Å; A27-D47 WeakPolarHBondContact CB-O 3.41Å |
| 28 | R | 92.4 | Very high | 87.3 | Confident | 188 Ų | 188 | 54.1 Ų | 54.1 | 71% | 0.709 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 21.1 | 173.9 | -63.1 | 176.9 | -178 | 164.3 | 8.1 | 115.2 | G30 D47 H48 | R28-G30 PolarHBondContact O-N 3.3Å; R28-D47 PolarHBondContact N-O 2.87Å; R28-H48 HydrophobicContact CG-CB 3.61Å; R28-H48 PolarHBondContact NE-CD2 3.35Å; R28-H48 PolarHBondContact NH2-CD2 2.98Å; R28-H48 PolarHBondContact NH2-NE2 2.74Å |
| 29 | S | 89.3 | Confident | 87.3 | Confident | 47 Ų | 47 | 52.5 Ų | 52.5 | 33% | 0.329 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -92 | 9.5 | -170.1 | -71.8 | 0 | 0 | 0 | 0 | 114.2 | I26 A27 I31 N49 | I26-S29 VanDerWaalsContact O-CB 3.31Å; I26-S29 WeakPolarHBondContact O-CB 3.48Å; I26-S29 PolarHBondContact O-OG 3.11Å; A27-S29 PolarHBondContact O-N 3.49Å; A27-S29 PolarHBondContact O-OG 2.95Å; S29-I31 VanDerWaalsContact C-N 3.28Å; S29-I31 PolarHBondContact O-N 3.22Å; S29-N49 WeakPolarHBondContact CA-OD1 3.27Å; S29-N49 PolarHBondContact N-OD1 3.32Å |
| 30 | G | 88.7 | Confident | 87.4 | Confident | 46 Ų | 46 | 51.3 Ų | 51.3 | 47% | 0.474 | 30% | 0.296 | S | S | . | . | trans | 64 | 27.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R28 N49 | R28-G30 PolarHBondContact O-N 3.3Å; G30-N49 PolarHBondContact N-OD1 2.87Å | ||
| 31 | I | 89.8 | Confident | 87.8 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | trans | -81.5 | 124.3 | -173.8 | -60.1 | 175.2 | 0 | 0 | 0 | 110.7 | M1 L4 I26 S29 S33 N49 Y50 I51 | M1-I31 HydrophobicContact CB-CG2 4.34Å; M1-I31 HydrophobicContact CE-CD1 4.09Å; M1-I31 HydrophobicContact CE-CG2 4.21Å; L4-I31 HydrophobicContact CD1-CD1 4.06Å; L4-I31 HydrophobicContact CD1-CG1 4.31Å; I26-I31 HydrophobicContact CB-CD1 4.27Å; I26-I31 HydrophobicContact CD1-CD1 3.83Å; I26-I31 HydrophobicContact CG1-CD1 4.27Å; S29-I31 VanDerWaalsContact C-N 3.28Å; S29-I31 PolarHBondContact O-N 3.22Å; I31-S33 VanDerWaalsContact CG2-O 3.23Å; I31-S33 WeakPolarHBondContact CG2-O 3.38Å; I31-N49 HydrophobicContact CB-CB 4.22Å; I31-N49 WeakPolarHBondContact CB-OD1 3.27Å; I31-N49 PolarHBondContact N-OD1 3.13Å; I31-Y50 CarbonylContact O-C 3.34Å; I31-Y50 WeakPolarHBondContact O-CA 3.34Å; I31-Y50 PolarHBondContact O-N 2.99Å; I31-I51 HydrophobicContact CB-CG1 4.49Å; I31-I51 HydrophobicContact CG2-CD1 4.36Å; I31-I51 HydrophobicContact CG2-CG1 4.13Å; I31-I51 WeakPolarHBondContact O-CG1 3.39Å; I31-I51 PolarHBondContact O-N 2.86Å | ||
| 32 | E | 90.1 | Very high | 88 | Confident | 119 Ų | 119 | 49.3 Ų | 49.3 | 56% | 0.556 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -95.8 | -26.8 | 174.6 | -63.3 | -170.1 | -179.9 | 0 | 0 | 114.2 | ||
| 33 | S | 87.9 | Confident | 88.2 | Confident | 50 Ų | 50 | 47.1 Ų | 47.1 | 35% | 0.35 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -144.2 | 140.5 | -176.9 | 173.5 | 0 | 0 | 0 | 0 | 110 | I31 E55 | I31-S33 VanDerWaalsContact CG2-O 3.23Å; I31-S33 WeakPolarHBondContact CG2-O 3.38Å; S33-E55 PolarHBondContact OG-OE1 2.84Å |
| 34 | I | 86.3 | Confident | 88.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -85.6 | 128.1 | 178 | -59.1 | 173.5 | 0 | 0 | 0 | 108 | M1 L37 L46 I51 L54 E55 N56 L57 | M1-I34 HydrophobicContact CE-CB 4.36Å; M1-I34 HydrophobicContact CE-CG1 4.46Å; M1-I34 HydrophobicContact CE-CG2 4.09Å; M1-I34 HydrophobicContact SD-CG2 4.4Å; I34-L37 HydrophobicContact CG2-CD1 4.35Å; I34-L46 HydrophobicContact CD1-CD1 3.75Å; I34-L46 HydrophobicContact CG1-CD1 4.39Å; I34-I51 HydrophobicContact CD1-CD1 4.22Å; I34-I51 HydrophobicContact CD1-CG2 4.06Å; I34-I51 HydrophobicContact CG1-CD1 3.97Å; I34-I51 HydrophobicContact CG1-CG1 4.46Å; I34-I51 HydrophobicContact CG1-CG2 4.06Å; I34-L54 HydrophobicContact CD1-CD2 3.86Å; I34-E55 WeakPolarHBondContact CG2-O 3.42Å; I34-N56 PolarHBondContact O-ND2 3.07Å; I34-L57 HydrophobicContact CD1-CD1 4.3Å; I34-L57 HydrophobicContact CD1-CD2 4.19Å; I34-L57 HydrophobicContact CD1-CG 4.33Å; I34-L57 HydrophobicContact CG2-CD2 3.92Å | ||
| 35 | E | 82.2 | Confident | 88.5 | Confident | 36 Ų | 36 | 46.9 Ų | 46.9 | 17% | 0.168 | 26% | 0.263 | C | S | . | . | trans | -106.2 | 179.6 | 173.2 | -65.8 | -179.8 | 145.3 | 0 | 0 | 109.5 | M1 R2 L5 L37 | M1-E35 HydrophobicContact CB-CB 4.2Å; M1-E35 HydrophobicContact CB-CG 4.17Å; M1-E35 HydrophobicContact CG-CB 4.31Å; M1-E35 HydrophobicContact SD-CB 3.97Å; M1-E35 PolarHBondContact SD-N 2.88Å; R2-E35 WeakPolarHBondContact CA-OE2 3.47Å; R2-E35 WeakPolarHBondContact CB-OE2 3.4Å; R2-E35 WeakPolarHBondContact CG-OE2 3.39Å; R2-E35 IonicContact CZ-OE1 3.16Å; R2-E35 PolarHBondContact N-OE2 2.94Å; R2-E35 IonicContact NE-OE1 2.63Å; R2-E35 PolarHBondContact NE-OE1 3.13Å; R2-E35 IonicContact NE-OE2 3.17Å; R2-E35 IonicContact NH2-OE1 2.75Å; R2-E35 PolarHBondContact NH2-OE1 3.43Å; L5-E35 HydrophobicContact CD1-CB 4.38Å; E35-L37 PolarHBondContact O-N 3.04Å | ||
| 36 | T | 81 | Confident | 88.7 | Confident | 99 Ų | 99 | 43.5 Ų | 43.5 | 61% | 0.607 | 24% | 0.244 | S | C | * | . | trans | -60.3 | 110.5 | -179.2 | 49.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 37 | L | 84.4 | Confident | 89 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | trans | -89.9 | 157.1 | 174 | -71.6 | 175.9 | 0 | 0 | 0 | 110.8 | M1 L24 I26 I34 E35 I41 L44 L60 | M1-L37 HydrophobicContact CE-CD1 4.34Å; M1-L37 HydrophobicContact CE-CD2 4.07Å; M1-L37 HydrophobicContact CE-CG 4.36Å; M1-L37 HydrophobicContact SD-CD2 3.63Å; M1-L37 HydrophobicContact SD-CG 4Å; L24-L37 HydrophobicContact CD2-CD2 3.81Å; I26-L37 HydrophobicContact CD1-CD2 4.5Å; I34-L37 HydrophobicContact CG2-CD1 4.35Å; E35-L37 PolarHBondContact O-N 3.04Å; L37-I41 HydrophobicContact CB-CD1 4.11Å; L37-L44 HydrophobicContact CD1-CD1 3.86Å; L37-L44 HydrophobicContact CD1-CD2 3.57Å; L37-L44 HydrophobicContact CD1-CG 4.4Å; L37-L60 HydrophobicContact CB-CD1 4.41Å; L37-L60 HydrophobicContact CB-CD2 4.12Å; L37-L60 HydrophobicContact CD1-CD1 4.36Å | ||
| 38 | P | 76 | Confident | 89.2 | Confident | 51 Ų | 51 | 47.1 Ų | 47.1 | 33% | 0.331 | 26% | 0.258 | S | S | . | . | trans | -68.3 | 143.7 | -179.8 | 27.5 | -33.1 | 0 | 0 | 0 | 111.5 | F9 N40 I41 L60 | F9-P38 HydrophobicContact CD1-CG 4.2Å; F9-P38 HydrophobicContact CE1-CG 4.15Å; P38-N40 VanDerWaalsContact C-N 3.27Å; P38-N40 PolarHBondContact O-N 3.46Å; P38-I41 HydrophobicContact CG-CD1 3.83Å; P38-I41 HydrophobicContact CG-CG1 4.13Å; P38-I41 WeakPolarHBondContact O-CD1 3.36Å; P38-I41 WeakPolarHBondContact O-CG1 3.28Å; P38-L60 WeakPolarHBondContact O-CD2 3.46Å | ||
| 39 | V | 79 | Confident | 89.4 | Confident | 73 Ų | 73 | 38.3 Ų | 38.3 | 44% | 0.442 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -22.7 | -165.7 | -146.4 | 0 | 0 | 0 | 0 | 114.2 | I41 T59 | V39-I41 PolarHBondContact O-N 2.85Å; V39-T59 WeakPolarHBondContact CG1-O 3.43Å |
| 40 | N | 84.9 | Confident | 89.6 | Confident | 107 Ų | 107 | 42.4 Ų | 42.4 | 57% | 0.572 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 19.3 | -168.7 | -64.6 | -1.7 | 0 | 0 | 0 | 114.1 | I22 P38 | I22-N40 WeakPolarHBondContact CB-O 3.46Å; I22-N40 HydrophobicContact CD1-CB 4.33Å; P38-N40 VanDerWaalsContact C-N 3.27Å; P38-N40 PolarHBondContact O-N 3.46Å |
| 41 | I | 91 | Very high | 90 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | trans | -80.9 | 132 | 177.1 | -59.4 | 163.9 | 0 | 0 | 0 | 109.8 | L24 L37 P38 V39 V43 L44 N62 L63 | L24-I41 HydrophobicContact CB-CD1 3.99Å; L24-I41 HydrophobicContact CB-CG1 4.28Å; L24-I41 HydrophobicContact CB-CG2 4.15Å; L24-I41 HydrophobicContact CD2-CD1 3.57Å; L24-I41 HydrophobicContact CG-CD1 4.43Å; L37-I41 HydrophobicContact CB-CD1 4.11Å; P38-I41 HydrophobicContact CG-CD1 3.83Å; P38-I41 HydrophobicContact CG-CG1 4.13Å; P38-I41 WeakPolarHBondContact O-CD1 3.36Å; P38-I41 WeakPolarHBondContact O-CG1 3.28Å; V39-I41 PolarHBondContact O-N 2.85Å; I41-V43 WeakPolarHBondContact CG2-O 3.39Å; I41-L44 HydrophobicContact CG2-CB 4.19Å; I41-N62 CarbonylContact O-C 3.16Å; I41-L63 HydrophobicContact CB-CD1 4.35Å; I41-L63 HydrophobicContact CG2-CD1 3.81Å; I41-L63 WeakPolarHBondContact O-CA 3.49Å; I41-L63 PolarHBondContact O-N 3.16Å | ||
| 42 | N | 94.5 | Very high | 90.2 | Very high | 31 Ų | 31 | 47.7 Ų | 47.7 | 17% | 0.166 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -97.8 | -36.4 | 173.1 | -58.4 | 105.9 | 0 | 0 | 0 | 112.4 | E21 I22 N62 L63 Q64 Q65 | E21-N42 WeakPolarHBondContact CA-OD1 3.2Å; E21-N42 HydrophobicContact CB-CB 4.03Å; I22-N42 PolarHBondContact N-OD1 3.45Å; I22-N42 PolarHBondContact O-N 3.02Å; N42-N62 PolarHBondContact ND2-O 3.42Å; N42-N62 VanDerWaalsContact ND2-O 3.14Å; N42-L63 WeakPolarHBondContact O-CD1 3.22Å; N42-Q64 PolarHBondContact O-N 3.3Å; N42-Q65 PolarHBondContact O-N 2.92Å |
| 43 | V | 95.5 | Very high | 90.3 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 123.2 | 179.8 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | I22 T23 L24 I41 I45 Q65 L620 | I22-V43 PolarHBondContact O-N 2.92Å; T23-V43 CarbonylContact C-O 3.59Å; T23-V43 WeakPolarHBondContact CA-O 3.5Å; T23-V43 HydrophobicContact CG2-CB 4Å; T23-V43 HydrophobicContact CG2-CG1 3.85Å; L24-V43 PolarHBondContact N-O 3.16Å; I41-V43 WeakPolarHBondContact CG2-O 3.39Å; V43-I45 HydrophobicContact CG1-CD1 4.48Å; V43-I45 HydrophobicContact CG1-CG1 4.18Å; V43-Q65 WeakPolarHBondContact CA-O 3.42Å; V43-Q65 HydrophobicContact CB-CB 4.3Å; V43-Q65 HydrophobicContact CG1-CB 4.05Å; V43-Q65 HydrophobicContact CG2-CB 4Å; V43-Q65 HydrophobicContact CG2-CG 3.99Å; V43-L620 HydrophobicContact CG1-CD1 3.92Å |
| 44 | L | 95.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 117.2 | -179.7 | 177.8 | 57.7 | 0 | 0 | 0 | 110.6 | L24 L37 I41 L46 L57 L60 L63 Q65 L66 S67 | L24-L44 HydrophobicContact CB-CD1 4.24Å; L24-L44 HydrophobicContact CD2-CD1 4.08Å; L24-L44 HydrophobicContact CG-CD1 4.22Å; L37-L44 HydrophobicContact CD1-CD1 3.86Å; L37-L44 HydrophobicContact CD1-CD2 3.57Å; L37-L44 HydrophobicContact CD1-CG 4.4Å; I41-L44 HydrophobicContact CG2-CB 4.19Å; L44-L46 HydrophobicContact CD1-CD2 4.25Å; L44-L46 HydrophobicContact CD1-CG 4.12Å; L44-L46 HydrophobicContact CD2-CD1 3.96Å; L44-L46 HydrophobicContact CD2-CG 4.41Å; L44-L46 HydrophobicContact CG-CD1 4.03Å; L44-L46 HydrophobicContact CG-CG 3.99Å; L44-L57 HydrophobicContact CD2-CD2 3.89Å; L44-L60 HydrophobicContact CD2-CD1 3.83Å; L44-L63 HydrophobicContact CB-CD1 3.61Å; L44-L63 HydrophobicContact CB-CD2 4.27Å; L44-Q65 PolarHBondContact N-O 2.99Å; L44-L66 HydrophobicContact CB-CD1 4.13Å; L44-L66 HydrophobicContact CD2-CD1 4.01Å; L44-L66 HydrophobicContact CG-CD1 4.05Å; L44-S67 PolarHBondContact O-N 2.99Å |
| 45 | I | 95.7 | Very high | 90.7 | Very high | 20 Ų | 20 | 49.9 Ų | 49.9 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 117.1 | 179.7 | -48.9 | 176.9 | 0 | 0 | 0 | 109.1 | T23 L24 N25 I26 A27 V43 D47 L620 | T23-I45 HydrophobicContact CG2-CD1 4.35Å; L24-I45 PolarHBondContact O-N 3.49Å; N25-I45 HydrophobicContact CB-CB 4.25Å; N25-I45 HydrophobicContact CB-CD1 4.2Å; I26-I45 CarbonylContact C-O 3.55Å; I26-I45 PolarHBondContact N-O 3.11Å; A27-I45 HydrophobicContact CB-CG2 4.27Å; A27-I45 PolarHBondContact N-O 3.14Å; V43-I45 HydrophobicContact CG1-CD1 4.48Å; V43-I45 HydrophobicContact CG1-CG1 4.18Å; I45-D47 HydrophobicContact CG2-CB 4.3Å; I45-D47 WeakPolarHBondContact CG2-OD2 3.5Å; I45-L620 HydrophobicContact CD1-CD1 3.61Å; I45-L620 HydrophobicContact CG1-CD1 4Å |
| 46 | L | 95.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | -120.9 | 16 | -176.1 | -68.1 | 166.8 | 0 | 0 | 0 | 112 | M1 I26 I34 L44 N49 I51 L66 S67 V68 N71 | M1-L46 HydrophobicContact CE-CD2 4.29Å; I26-L46 HydrophobicContact CD1-CD2 3.72Å; I26-L46 HydrophobicContact CG1-CD2 3.81Å; I34-L46 HydrophobicContact CD1-CD1 3.75Å; I34-L46 HydrophobicContact CG1-CD1 4.39Å; L44-L46 HydrophobicContact CD1-CD2 4.25Å; L44-L46 HydrophobicContact CD1-CG 4.12Å; L44-L46 HydrophobicContact CD2-CD1 3.96Å; L44-L46 HydrophobicContact CD2-CG 4.41Å; L44-L46 HydrophobicContact CG-CD1 4.03Å; L44-L46 HydrophobicContact CG-CG 3.99Å; L46-N49 WeakPolarHBondContact O-CB 3.35Å; L46-N49 PolarHBondContact O-ND2 3.04Å; L46-I51 HydrophobicContact CB-CD1 3.85Å; L46-I51 HydrophobicContact CD1-CD1 4.12Å; L46-I51 HydrophobicContact CD2-CD1 3.98Å; L46-I51 HydrophobicContact CG-CD1 4.22Å; L46-L66 HydrophobicContact CD1-CD1 4.18Å; L46-S67 WeakPolarHBondContact CB-O 3.47Å; L46-S67 PolarHBondContact N-O 3.36Å; L46-V68 HydrophobicContact CB-CB 4.4Å; L46-V68 HydrophobicContact CB-CG1 3.95Å; L46-V68 HydrophobicContact CB-CG2 4.25Å; L46-V68 HydrophobicContact CD1-CG1 4.49Å; L46-V68 HydrophobicContact CD1-CG2 4.06Å; L46-N71 PolarHBondContact O-ND2 2.86Å | ||
| 47 | D | 97.1 | Very high | 91.2 | Very high | 28 Ų | 28 | 47.2 Ų | 47.2 | 15% | 0.15 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | 151.5 | -169.2 | -59.7 | -19.8 | 0 | 0 | 0 | 114 | A27 R28 I45 N49 S67 V68 A69 | A27-D47 CarbonylContact C-O 3.52Å; A27-D47 WeakPolarHBondContact CA-O 3.45Å; A27-D47 HydrophobicContact CB-CB 4.14Å; A27-D47 WeakPolarHBondContact CB-O 3.41Å; R28-D47 PolarHBondContact N-O 2.87Å; I45-D47 HydrophobicContact CG2-CB 4.3Å; I45-D47 WeakPolarHBondContact CG2-OD2 3.5Å; D47-N49 VanDerWaalsContact C-N 3.25Å; D47-N49 PolarHBondContact O-N 3.33Å; D47-N49 PolarHBondContact O-ND2 3.06Å; D47-S67 VanDerWaalsContact CG-OG 3.22Å; D47-S67 VanDerWaalsContact OD1-CB 3.32Å; D47-S67 WeakPolarHBondContact OD1-CB 3.27Å; D47-S67 PolarHBondContact OD1-OG 3.4Å; D47-S67 PolarHBondContact OD2-OG 3.49Å; D47-V68 PolarHBondContact OD1-N 3.02Å; D47-A69 CarbonylContact C-O 3.52Å; D47-A69 WeakPolarHBondContact CA-O 3.27Å; D47-A69 HydrophobicContact CB-CB 4.14Å; D47-A69 WeakPolarHBondContact OD1-CB 3.12Å; D47-A69 PolarHBondContact OD1-N 2.84Å |
| 48 | H | 96.6 | Very high | 91.1 | Very high | 76 Ų | 76 | 51.2 Ų | 51.2 | 35% | 0.352 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 39 | 179.1 | -48.9 | -73.4 | 0 | 0 | 0 | 114.2 | R28 A69 D70 | R28-H48 HydrophobicContact CG-CB 3.61Å; R28-H48 PolarHBondContact NE-CD2 3.35Å; R28-H48 PolarHBondContact NH2-CD2 2.98Å; R28-H48 PolarHBondContact NH2-NE2 2.74Å; H48-A69 PolarHBondContact N-O 3.06Å; H48-D70 IonicContact CE1-OD2 3.79Å; H48-D70 PolarHBondContact CE1-OD2 2.92Å; H48-D70 WeakPolarHBondContact ND1-CB 3.47Å; H48-D70 IonicContact ND1-OD2 2.63Å; H48-D70 PolarHBondContact ND1-OD2 3.32Å; H48-D70 VanDerWaalsContact ND1-OD2 3.17Å |
| 49 | N | 95.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.011 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -103.4 | -170.5 | 170.9 | -80.1 | -67.6 | 0 | 0 | 0 | 110.1 | I26 S29 G30 I31 L46 D47 I51 N71 | I26-N49 PolarHBondContact O-ND2 3.34Å; S29-N49 WeakPolarHBondContact CA-OD1 3.27Å; S29-N49 PolarHBondContact N-OD1 3.32Å; G30-N49 PolarHBondContact N-OD1 2.87Å; I31-N49 HydrophobicContact CB-CB 4.22Å; I31-N49 WeakPolarHBondContact CB-OD1 3.27Å; I31-N49 PolarHBondContact N-OD1 3.13Å; L46-N49 WeakPolarHBondContact O-CB 3.35Å; L46-N49 PolarHBondContact O-ND2 3.04Å; D47-N49 VanDerWaalsContact C-N 3.25Å; D47-N49 PolarHBondContact O-N 3.33Å; D47-N49 PolarHBondContact O-ND2 3.06Å; N49-I51 HydrophobicContact CB-CD1 4.11Å; N49-I51 HydrophobicContact CB-CG1 4Å; N49-N71 WeakPolarHBondContact CA-OD1 3.48Å; N49-N71 WeakPolarHBondContact CB-OD1 3.46Å; N49-N71 PolarHBondContact N-ND2 3.42Å; N49-N71 PolarHBondContact O-OD1 2.85Å |
| 50 | Y | 95 | Very high | 92 | Very high | 134 Ų | 134 | 48.7 Ų | 48.7 | 53% | 0.525 | 23% | 0.234 | S | C | . | . | trans | -109.7 | 22.8 | 179.7 | -59.9 | -61.9 | 0 | 0 | 0 | 112.4 | I31 R52 N71 | I31-Y50 CarbonylContact O-C 3.34Å; I31-Y50 WeakPolarHBondContact O-CA 3.34Å; I31-Y50 PolarHBondContact O-N 2.99Å; Y50-R52 WeakPolarHBondContact O-CG 3.3Å; Y50-R52 PolarHBondContact O-N 2.86Å; Y50-N71 PolarHBondContact N-OD1 3.06Å | ||
| 51 | I | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -66.3 | 125.6 | -171.7 | -57.6 | 168 | 0 | 0 | 0 | 109.6 | I31 I34 L46 N49 R53 V68 N71 K72 L73 | I31-I51 HydrophobicContact CB-CG1 4.49Å; I31-I51 HydrophobicContact CG2-CD1 4.36Å; I31-I51 HydrophobicContact CG2-CG1 4.13Å; I31-I51 WeakPolarHBondContact O-CG1 3.39Å; I31-I51 PolarHBondContact O-N 2.86Å; I34-I51 HydrophobicContact CD1-CD1 4.22Å; I34-I51 HydrophobicContact CD1-CG2 4.06Å; I34-I51 HydrophobicContact CG1-CD1 3.97Å; I34-I51 HydrophobicContact CG1-CG1 4.46Å; I34-I51 HydrophobicContact CG1-CG2 4.06Å; L46-I51 HydrophobicContact CB-CD1 3.85Å; L46-I51 HydrophobicContact CD1-CD1 4.12Å; L46-I51 HydrophobicContact CD2-CD1 3.98Å; L46-I51 HydrophobicContact CG-CD1 4.22Å; N49-I51 HydrophobicContact CB-CD1 4.11Å; N49-I51 HydrophobicContact CB-CG1 4Å; I51-R53 WeakPolarHBondContact CG2-O 3.42Å; I51-V68 HydrophobicContact CD1-CG1 4.2Å; I51-N71 HydrophobicContact CB-CB 4.48Å; I51-N71 WeakPolarHBondContact CB-OD1 3.41Å; I51-N71 VanDerWaalsContact CG1-OD1 3.32Å; I51-N71 WeakPolarHBondContact CG1-OD1 3.45Å; I51-N71 PolarHBondContact N-OD1 3.39Å; I51-K72 CarbonylContact O-C 3.54Å; I51-K72 WeakPolarHBondContact O-CA 3.47Å; I51-K72 PolarHBondContact O-N 3.37Å; I51-L73 HydrophobicContact CG2-CD2 3.91Å; I51-L73 PolarHBondContact O-N 2.88Å | ||
| 52 | R | 94.3 | Very high | 92.1 | Very high | 158 Ų | 158 | 49.6 Ų | 49.6 | 60% | 0.596 | 24% | 0.242 | S | C | * | . | trans | -101 | -20.1 | -178.6 | -55.9 | -175.7 | -168.4 | 174.1 | 7 | 113.8 | Y50 K72 | Y50-R52 WeakPolarHBondContact O-CG 3.3Å; Y50-R52 PolarHBondContact O-N 2.86Å; R52-K72 HydrophobicContact CG-CB 4.26Å | ||
| 53 | R | 92.7 | Very high | 92.2 | Very high | 145 Ų | 145 | 48.1 Ų | 48.1 | 55% | 0.547 | 24% | 0.235 | S | C | . | . | trans | -144.7 | 139.8 | -176.4 | -56.9 | -176.7 | 73.4 | 175.9 | 0.2 | 109.8 | I51 | I51-R53 WeakPolarHBondContact CG2-O 3.42Š| ||
| 54 | L | 92.7 | Very high | 92.2 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.037 | 25% | 0.25 | C | S | . | . | trans | -87.6 | 107.9 | 166.1 | -60.9 | -178 | 0 | 0 | 0 | 107.8 | I34 L57 V68 L73 G78 V79 L90 | I34-L54 HydrophobicContact CD1-CD2 3.86Å; L54-L57 HydrophobicContact CB-CD1 4.1Å; L54-L57 HydrophobicContact CD2-CD1 4.15Å; L54-V68 HydrophobicContact CD2-CG1 4.26Å; L54-V68 HydrophobicContact CD2-CG2 4.08Å; L54-L73 HydrophobicContact CD1-CD1 4.08Å; L54-L73 HydrophobicContact CD2-CD1 3.93Å; L54-L73 HydrophobicContact CD2-CD2 3.85Å; L54-L73 HydrophobicContact CG-CD1 3.94Å; L54-L73 HydrophobicContact CG-CD2 3.83Å; L54-G78 WeakPolarHBondContact O-CA 3.37Å; L54-V79 HydrophobicContact CD1-CG1 3.61Å; L54-L90 HydrophobicContact CD1-CD2 4.47Å | ||
| 55 | E | 88.8 | Confident | 92.3 | Very high | 64 Ų | 64 | 52.3 Ų | 52.3 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | trans | -140.2 | 160.6 | -179.8 | 60.6 | -166.7 | -176.3 | 0 | 0 | 109 | S33 I34 L57 | S33-E55 PolarHBondContact OG-OE1 2.84Å; I34-E55 WeakPolarHBondContact CG2-O 3.42Å; E55-L57 PolarHBondContact O-N 2.75Å; E55-L57 VanDerWaalsContact O-N 3.08Å | ||
| 56 | N | 84.8 | Confident | 92.4 | Very high | 77 Ų | 77 | 51.3 Ų | 51.3 | 41% | 0.412 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 60.6 | 12.2 | -177.2 | -52.6 | -47.4 | 0 | 0 | 0 | 116.2 | I34 | I34-N56 PolarHBondContact O-ND2 3.07Š|
| 57 | L | 89.7 | Confident | 92.5 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | trans | -86 | -15 | 175.8 | -61.7 | -177.9 | 0 | 0 | 0 | 114.1 | I34 L44 L54 E55 T59 L60 L66 L82 | I34-L57 HydrophobicContact CD1-CD1 4.3Å; I34-L57 HydrophobicContact CD1-CD2 4.19Å; I34-L57 HydrophobicContact CD1-CG 4.33Å; I34-L57 HydrophobicContact CG2-CD2 3.92Å; L44-L57 HydrophobicContact CD2-CD2 3.89Å; L54-L57 HydrophobicContact CB-CD1 4.1Å; L54-L57 HydrophobicContact CD2-CD1 4.15Å; E55-L57 PolarHBondContact O-N 2.75Å; E55-L57 VanDerWaalsContact O-N 3.08Å; L57-T59 PolarHBondContact O-N 3Å; L57-L60 HydrophobicContact CD2-CD1 3.77Å; L57-L60 WeakPolarHBondContact O-CB 3.39Å; L57-L60 PolarHBondContact O-N 2.79Å; L57-L66 HydrophobicContact CD1-CD2 4.07Å; L57-L82 HydrophobicContact CB-CD2 4.33Å; L57-L82 WeakPolarHBondContact O-CD2 3.46Å | ||
| 58 | S | 82.9 | Confident | 92.5 | Very high | 92 Ų | 92 | 50.1 Ų | 50.1 | 64% | 0.643 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -13.5 | -174.2 | 55.2 | 0 | 0 | 0 | 0 | 115 | ||
| 59 | T | 83.3 | Confident | 92.6 | Very high | 71 Ų | 71 | 46.8 Ų | 46.8 | 44% | 0.436 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -19.4 | 173 | 49.8 | 0 | 0 | 0 | 0 | 112.9 | V39 L57 C61 | V39-T59 WeakPolarHBondContact CG1-O 3.43Å; L57-T59 PolarHBondContact O-N 3Å; T59-C61 PolarHBondContact O-N 3.03Å |
| 60 | L | 91.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | trans | -81.4 | 60.9 | -174.5 | -52.6 | -178.8 | 0 | 0 | 0 | 111.4 | L37 P38 L44 L57 N62 L63 L82 | L37-L60 HydrophobicContact CB-CD1 4.41Å; L37-L60 HydrophobicContact CB-CD2 4.12Å; L37-L60 HydrophobicContact CD1-CD1 4.36Å; P38-L60 WeakPolarHBondContact O-CD2 3.46Å; L44-L60 HydrophobicContact CD2-CD1 3.83Å; L57-L60 HydrophobicContact CD2-CD1 3.77Å; L57-L60 WeakPolarHBondContact O-CB 3.39Å; L57-L60 PolarHBondContact O-N 2.79Å; L60-N62 PolarHBondContact O-N 3.35Å; L60-L63 HydrophobicContact CB-CB 3.98Å; L60-L63 HydrophobicContact CB-CD2 4.49Å; L60-L63 HydrophobicContact CD1-CD2 4.28Å; L60-L63 VanDerWaalsContact O-CB 3.27Å; L60-L63 WeakPolarHBondContact O-CB 3.37Å; L60-L63 PolarHBondContact O-N 2.93Å; L60-L63 VanDerWaalsContact O-N 3.14Å; L60-L82 HydrophobicContact CB-CD2 4.16Å | ||
| 61 | C | 87.2 | Confident | 92.8 | Very high | 59 Ų | 59 | 42.9 Ų | 42.9 | 40% | 0.399 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -24.3 | -176.5 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | T59 N84 | T59-C61 PolarHBondContact O-N 3.03Å; C61-N84 PolarHBondContact O-ND2 3.16Å |
| 62 | N | 90.7 | Very high | 92.8 | Very high | 69 Ų | 69 | 47.9 Ų | 47.9 | 37% | 0.369 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 3.4 | 179 | -64 | -31 | 0 | 0 | 0 | 113.8 | I41 N42 L60 Q64 | I41-N62 CarbonylContact O-C 3.16Å; N42-N62 PolarHBondContact ND2-O 3.42Å; N42-N62 VanDerWaalsContact ND2-O 3.14Å; L60-N62 PolarHBondContact O-N 3.35Å; N62-Q64 PolarHBondContact O-N 3.33Å |
| 63 | L | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -73.2 | 119.8 | -177.9 | -163.7 | 75.3 | 0 | 0 | 0 | 111 | I41 N42 L44 L60 L66 L82 N84 L85 | I41-L63 HydrophobicContact CB-CD1 4.35Å; I41-L63 HydrophobicContact CG2-CD1 3.81Å; I41-L63 WeakPolarHBondContact O-CA 3.49Å; I41-L63 PolarHBondContact O-N 3.16Å; N42-L63 WeakPolarHBondContact O-CD1 3.22Å; L44-L63 HydrophobicContact CB-CD1 3.61Å; L44-L63 HydrophobicContact CB-CD2 4.27Å; L60-L63 HydrophobicContact CB-CB 3.98Å; L60-L63 HydrophobicContact CB-CD2 4.49Å; L60-L63 HydrophobicContact CD1-CD2 4.28Å; L60-L63 VanDerWaalsContact O-CB 3.27Å; L60-L63 WeakPolarHBondContact O-CB 3.37Å; L60-L63 PolarHBondContact O-N 2.93Å; L60-L63 VanDerWaalsContact O-N 3.14Å; L63-L66 HydrophobicContact CD2-CB 4.07Å; L63-L66 HydrophobicContact CD2-CD1 4.36Å; L63-L82 HydrophobicContact CB-CD2 4.32Å; L63-L82 HydrophobicContact CD2-CD1 4.09Å; L63-L82 HydrophobicContact CD2-CD2 4.05Å; L63-N84 CarbonylContact O-C 3.29Å; L63-L85 HydrophobicContact CD2-CD1 4.18Å; L63-L85 HydrophobicContact CG-CD1 4.18Å; L63-L85 PolarHBondContact O-N 3.13Å | ||
| 64 | Q | 96.1 | Very high | 93 | Very high | 78 Ų | 78 | 38.5 Ų | 38.5 | 36% | 0.364 | 21% | 0.21 | S | C | . | . | trans | -101.8 | -34.8 | 178.8 | -69.8 | 170.6 | -31.7 | 0 | 0 | 111.5 | N42 N62 L85 T86 I87 | N42-Q64 PolarHBondContact O-N 3.3Å; N62-Q64 PolarHBondContact O-N 3.33Å; Q64-L85 CarbonylContact O-C 3.48Å; Q64-L85 WeakPolarHBondContact O-CA 3.37Å; Q64-L85 WeakPolarHBondContact O-CD1 3.5Å; Q64-T86 PolarHBondContact O-N 3.2Å; Q64-T86 PolarHBondContact O-OG1 3.29Å; Q64-I87 PolarHBondContact O-N 3.47Å | ||
| 65 | Q | 97.3 | Very high | 93.1 | Very high | 16 Ų | 16 | 43 Ų | 43 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 131.3 | -178.3 | -48.5 | -173.9 | 22.3 | 0 | 0 | 111.4 | N42 V43 L44 I87 | N42-Q65 PolarHBondContact O-N 2.92Å; V43-Q65 WeakPolarHBondContact CA-O 3.42Å; V43-Q65 HydrophobicContact CB-CB 4.3Å; V43-Q65 HydrophobicContact CG1-CB 4.05Å; V43-Q65 HydrophobicContact CG2-CB 4Å; V43-Q65 HydrophobicContact CG2-CG 3.99Å; L44-Q65 PolarHBondContact N-O 2.99Å; Q65-I87 WeakPolarHBondContact CA-O 3.1Å; Q65-I87 HydrophobicContact CB-CB 4.17Å; Q65-I87 HydrophobicContact CG-CB 4.02Å; Q65-I87 HydrophobicContact CG-CD1 4.13Å; Q65-I87 HydrophobicContact CG-CG1 4.18Å |
| 66 | L | 97.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 120.8 | 177.3 | 176.5 | 60.1 | 0 | 0 | 0 | 110.2 | L44 L46 L57 L63 V68 V79 L82 L85 I87 L88 N89 | L44-L66 HydrophobicContact CB-CD1 4.13Å; L44-L66 HydrophobicContact CD2-CD1 4.01Å; L44-L66 HydrophobicContact CG-CD1 4.05Å; L46-L66 HydrophobicContact CD1-CD1 4.18Å; L57-L66 HydrophobicContact CD1-CD2 4.07Å; L63-L66 HydrophobicContact CD2-CB 4.07Å; L63-L66 HydrophobicContact CD2-CD1 4.36Å; L66-V68 HydrophobicContact CD1-CG2 3.7Å; L66-V68 HydrophobicContact CD2-CG2 4.36Å; L66-V68 HydrophobicContact CG-CG2 3.87Å; L66-V79 HydrophobicContact CD2-CG1 4Å; L66-L82 HydrophobicContact CD2-CD1 3.72Å; L66-L85 HydrophobicContact CB-CD1 3.79Å; L66-L85 HydrophobicContact CB-CD2 4.36Å; L66-I87 PolarHBondContact N-O 3.17Å; L66-L88 HydrophobicContact CB-CD1 4.11Å; L66-L88 HydrophobicContact CD2-CD1 3.96Å; L66-L88 HydrophobicContact CG-CD1 4.1Å; L66-N89 PolarHBondContact O-N 3.47Å |
| 67 | S | 98 | Very high | 93.7 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.7 | 172 | -164.3 | 0 | 0 | 0 | 0 | 111.1 | L44 L46 D47 N89 | L44-S67 PolarHBondContact O-N 2.99Å; L46-S67 WeakPolarHBondContact CB-O 3.47Å; L46-S67 PolarHBondContact N-O 3.36Å; D47-S67 VanDerWaalsContact CG-OG 3.22Å; D47-S67 VanDerWaalsContact OD1-CB 3.32Å; D47-S67 WeakPolarHBondContact OD1-CB 3.27Å; D47-S67 PolarHBondContact OD1-OG 3.4Å; D47-S67 PolarHBondContact OD2-OG 3.49Å; S67-N89 CarbonylContact C-O 3.54Å; S67-N89 WeakPolarHBondContact CA-O 3.18Å; S67-N89 PolarHBondContact OG-ND2 3.32Å |
| 68 | V | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -138.8 | 42.1 | 177.7 | -155.5 | 0 | 0 | 0 | 0 | 110.1 | L46 D47 I51 L54 L66 N71 L73 N89 L90 N93 | L46-V68 HydrophobicContact CB-CB 4.4Å; L46-V68 HydrophobicContact CB-CG1 3.95Å; L46-V68 HydrophobicContact CB-CG2 4.25Å; L46-V68 HydrophobicContact CD1-CG1 4.49Å; L46-V68 HydrophobicContact CD1-CG2 4.06Å; D47-V68 PolarHBondContact OD1-N 3.02Å; I51-V68 HydrophobicContact CD1-CG1 4.2Å; L54-V68 HydrophobicContact CD2-CG1 4.26Å; L54-V68 HydrophobicContact CD2-CG2 4.08Å; L66-V68 HydrophobicContact CD1-CG2 3.7Å; L66-V68 HydrophobicContact CD2-CG2 4.36Å; L66-V68 HydrophobicContact CG-CG2 3.87Å; V68-N71 HydrophobicContact CG1-CB 3.97Å; V68-L73 HydrophobicContact CB-CD1 4.17Å; V68-L73 HydrophobicContact CG1-CD1 3.98Å; V68-N89 PolarHBondContact N-O 3.4Å; V68-L90 HydrophobicContact CB-CD2 3.67Å; V68-L90 HydrophobicContact CG2-CD2 3.77Å; V68-N93 PolarHBondContact O-ND2 2.9Å | ||
| 69 | A | 97.8 | Very high | 94.3 | Very high | 6 Ų | 6 | 36.5 Ų | 36.5 | 5% | 0.05 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 152.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | D47 H48 N71 P91 | D47-A69 CarbonylContact C-O 3.52Å; D47-A69 WeakPolarHBondContact CA-O 3.27Å; D47-A69 HydrophobicContact CB-CB 4.14Å; D47-A69 WeakPolarHBondContact OD1-CB 3.12Å; D47-A69 PolarHBondContact OD1-N 2.84Å; H48-A69 PolarHBondContact N-O 3.06Å; A69-N71 PolarHBondContact O-N 3.01Å; A69-N71 PolarHBondContact O-ND2 3.48Å; A69-P91 WeakPolarHBondContact CA-O 3.5Å; A69-P91 HydrophobicContact CB-CG 3.66Å |
| 70 | D | 98 | Very high | 94.8 | Very high | 52 Ų | 52 | 34.7 Ų | 34.7 | 28% | 0.278 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 20.5 | 172.5 | -68.8 | -63.9 | 0 | 0 | 0 | 115.8 | H48 K72 P91 N92 | H48-D70 IonicContact CE1-OD2 3.79Å; H48-D70 PolarHBondContact CE1-OD2 2.92Å; H48-D70 WeakPolarHBondContact ND1-CB 3.47Å; H48-D70 IonicContact ND1-OD2 2.63Å; H48-D70 PolarHBondContact ND1-OD2 3.32Å; H48-D70 VanDerWaalsContact ND1-OD2 3.17Å; D70-K72 PolarHBondContact O-NZ 3Å; D70-P91 PolarHBondContact N-O 3.39Å; D70-N92 WeakPolarHBondContact OD1-CB 3.39Å; D70-N92 PolarHBondContact OD1-ND2 3.15Å |
| 71 | N | 97.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -86.4 | -158.9 | 179.4 | -89.9 | -92.8 | 0 | 0 | 0 | 111.4 | L46 N49 Y50 I51 V68 A69 L73 N93 | L46-N71 PolarHBondContact O-ND2 2.86Å; N49-N71 WeakPolarHBondContact CA-OD1 3.48Å; N49-N71 WeakPolarHBondContact CB-OD1 3.46Å; N49-N71 PolarHBondContact N-ND2 3.42Å; N49-N71 PolarHBondContact O-OD1 2.85Å; Y50-N71 PolarHBondContact N-OD1 3.06Å; I51-N71 HydrophobicContact CB-CB 4.48Å; I51-N71 WeakPolarHBondContact CB-OD1 3.41Å; I51-N71 VanDerWaalsContact CG1-OD1 3.32Å; I51-N71 WeakPolarHBondContact CG1-OD1 3.45Å; I51-N71 PolarHBondContact N-OD1 3.39Å; V68-N71 HydrophobicContact CG1-CB 3.97Å; A69-N71 PolarHBondContact O-N 3.01Å; A69-N71 PolarHBondContact O-ND2 3.48Å; N71-L73 HydrophobicContact CB-CG 4.46Å; N71-N93 WeakPolarHBondContact CA-OD1 3.49Å; N71-N93 VanDerWaalsContact CB-OD1 3.24Å; N71-N93 WeakPolarHBondContact CB-OD1 3.38Å; N71-N93 PolarHBondContact O-OD1 2.69Å |
| 72 | K | 96.2 | Very high | 95.1 | Very high | 105 Ų | 105 | 33.6 Ų | 33.6 | 46% | 0.457 | 18% | 0.184 | S | C | . | . | trans | -127.7 | 29.5 | -176.5 | -54.4 | -66.7 | 157.2 | -98 | 0 | 111.2 | I51 R52 D70 N93 | I51-K72 CarbonylContact O-C 3.54Å; I51-K72 WeakPolarHBondContact O-CA 3.47Å; I51-K72 PolarHBondContact O-N 3.37Å; R52-K72 HydrophobicContact CG-CB 4.26Å; D70-K72 PolarHBondContact O-NZ 3Å; K72-N93 PolarHBondContact N-OD1 3.14Å | ||
| 73 | L | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -65.5 | 134.8 | 179.3 | -60.5 | 175.6 | 0 | 0 | 0 | 110.5 | I51 L54 V68 N71 L90 N93 G94 I95 | I51-L73 HydrophobicContact CG2-CD2 3.91Å; I51-L73 PolarHBondContact O-N 2.88Å; L54-L73 HydrophobicContact CD1-CD1 4.08Å; L54-L73 HydrophobicContact CD2-CD1 3.93Å; L54-L73 HydrophobicContact CD2-CD2 3.85Å; L54-L73 HydrophobicContact CG-CD1 3.94Å; L54-L73 HydrophobicContact CG-CD2 3.83Å; V68-L73 HydrophobicContact CB-CD1 4.17Å; V68-L73 HydrophobicContact CG1-CD1 3.98Å; N71-L73 HydrophobicContact CB-CG 4.46Å; L73-L90 HydrophobicContact CD1-CD2 3.96Å; L73-N93 HydrophobicContact CB-CB 4.16Å; L73-N93 WeakPolarHBondContact CB-OD1 3.45Å; L73-N93 WeakPolarHBondContact CG-OD1 3.12Å; L73-N93 PolarHBondContact N-OD1 2.88Å; L73-G94 CarbonylContact O-C 3.51Å; L73-G94 VanDerWaalsContact O-C 3.23Å; L73-G94 WeakPolarHBondContact O-CA 3.37Å; L73-G94 PolarHBondContact O-N 3.36Å; L73-I95 HydrophobicContact CB-CD1 4.5Å; L73-I95 HydrophobicContact CB-CG1 4.18Å; L73-I95 PolarHBondContact O-N 3.47Å | ||
| 74 | L | 94.9 | Very high | 95.2 | Very high | 107 Ų | 107 | 37.4 Ų | 37.4 | 56% | 0.56 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -104.3 | -15.1 | 172.3 | -61.8 | 178.8 | 0 | 0 | 0 | 112.9 | ||
| 75 | Q | 94 | Very high | 95.2 | Very high | 100 Ų | 100 | 33.7 Ų | 33.7 | 47% | 0.467 | 19% | 0.186 | S | C | . | . | trans | -152.1 | 149.5 | -176.6 | -61.9 | 176.9 | 14.1 | 0 | 0 | 108.7 | H77 | Q75-H77 PolarHBondContact OE1-CE1 3.19Å; Q75-H77 PolarHBondContact OE1-ND1 2.9Å | ||
| 76 | M | 94.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -108.8 | 0.3 | -178.2 | 61.9 | -171.4 | -71.8 | 0 | 0 | 115.1 | G78 V79 L88 L90 I95 D99 L101 L112 | M76-G78 PolarHBondContact O-N 3.32Å; M76-V79 HydrophobicContact CE-CG2 4.38Å; M76-V79 WeakPolarHBondContact O-CG2 3.39Å; M76-V79 PolarHBondContact O-N 2.89Å; M76-L88 HydrophobicContact CE-CD2 3.7Å; M76-L90 HydrophobicContact CB-CD1 3.91Å; M76-L90 HydrophobicContact CE-CD1 3.75Å; M76-L90 HydrophobicContact SD-CD1 4.27Å; M76-I95 HydrophobicContact CB-CD1 4.25Å; M76-I95 HydrophobicContact CG-CG2 4.31Å; M76-I95 HydrophobicContact SD-CG2 4.2Å; M76-D99 CarbonylContact C-O 3.39Å; M76-D99 WeakPolarHBondContact CG-O 3.46Å; M76-L101 HydrophobicContact CE-CD1 4.25Å; M76-L101 HydrophobicContact CE-CD2 3.51Å; M76-L101 HydrophobicContact CE-CG 3.9Å; M76-L112 HydrophobicContact CE-CD1 4.39Å; M76-L112 HydrophobicContact CE-CD2 4.2Å; M76-L112 HydrophobicContact SD-CD1 4.1Å; M76-L112 HydrophobicContact SD-CD2 3.69Å | ||
| 77 | H | 91.8 | Very high | 95.3 | Very high | 79 Ų | 79 | 34.2 Ų | 34.2 | 37% | 0.366 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -49.9 | -22.6 | -173.6 | 66 | -107.2 | 0 | 0 | 0 | 116.5 | Q75 V79 A80 D99 | Q75-H77 PolarHBondContact OE1-CE1 3.19Å; Q75-H77 PolarHBondContact OE1-ND1 2.9Å; H77-V79 PolarHBondContact O-N 3.42Å; H77-A80 VanDerWaalsContact O-CB 3.32Å; H77-A80 WeakPolarHBondContact O-CB 3.35Å; H77-A80 PolarHBondContact O-N 3.2Å; H77-D99 WeakPolarHBondContact CA-O 3.45Å; H77-D99 HydrophobicContact CB-CB 4.29Å; H77-D99 PolarHBondContact N-O 3.17Å |
| 78 | G | 90.3 | Very high | 95.3 | Very high | 19 Ų | 19 | 34.1 Ų | 34.1 | 20% | 0.196 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -61.6 | -17.9 | 174 | 0 | 0 | 0 | 0 | 0 | 115.1 | L54 M76 A80 | L54-G78 WeakPolarHBondContact O-CA 3.37Å; M76-G78 PolarHBondContact O-N 3.32Å; G78-A80 VanDerWaalsContact C-N 3.27Å; G78-A80 PolarHBondContact O-N 3.07Å |
| 79 | V | 94.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -74.4 | -14 | 175.2 | -55 | 0 | 0 | 0 | 0 | 113.7 | L54 L66 M76 H77 G81 L82 L88 L104 | L54-V79 HydrophobicContact CD1-CG1 3.61Å; L66-V79 HydrophobicContact CD2-CG1 4Å; M76-V79 HydrophobicContact CE-CG2 4.38Å; M76-V79 WeakPolarHBondContact O-CG2 3.39Å; M76-V79 PolarHBondContact O-N 2.89Å; H77-V79 PolarHBondContact O-N 3.42Å; V79-G81 PolarHBondContact O-N 2.94Å; V79-L82 HydrophobicContact CB-CD1 4.09Å; V79-L82 HydrophobicContact CG1-CD1 4.3Å; V79-L82 WeakPolarHBondContact O-CB 3.44Å; V79-L82 WeakPolarHBondContact O-CG 3.35Å; V79-L82 PolarHBondContact O-N 3.3Å; V79-L88 HydrophobicContact CB-CD2 4.49Å; V79-L88 HydrophobicContact CG1-CD1 4.14Å; V79-L88 HydrophobicContact CG1-CD2 4.18Å; V79-L88 HydrophobicContact CG2-CD2 4.21Å; V79-L104 HydrophobicContact CB-CD1 4.38Å; V79-L104 HydrophobicContact CG2-CD1 3.91Å |
| 80 | A | 93 | Very high | 95.4 | Very high | 34 Ų | 34 | 34.5 Ų | 34.5 | 28% | 0.281 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -63.2 | -9.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | H77 G78 G100 K103 | H77-A80 VanDerWaalsContact O-CB 3.32Å; H77-A80 WeakPolarHBondContact O-CB 3.35Å; H77-A80 PolarHBondContact O-N 3.2Å; G78-A80 VanDerWaalsContact C-N 3.27Å; G78-A80 PolarHBondContact O-N 3.07Å; A80-G100 WeakPolarHBondContact CA-O 3.33Å; A80-K103 WeakPolarHBondContact O-CD 2.99Å |
| 81 | G | 89.7 | Confident | 95.4 | Very high | 36 Ų | 36 | 32.7 Ų | 32.7 | 37% | 0.371 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -93.4 | -11.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115 | V79 I83 | V79-G81 PolarHBondContact O-N 2.94Å; G81-I83 VanDerWaalsContact C-N 3.26Å; G81-I83 PolarHBondContact O-N 3.07Å |
| 82 | L | 94.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | trans | -84.5 | 57.4 | -170.6 | -57.7 | 173.7 | 0 | 0 | 0 | 111.7 | L57 L60 L63 L66 V79 N84 L85 L104 | L57-L82 HydrophobicContact CB-CD2 4.33Å; L57-L82 WeakPolarHBondContact O-CD2 3.46Å; L60-L82 HydrophobicContact CB-CD2 4.16Å; L63-L82 HydrophobicContact CB-CD2 4.32Å; L63-L82 HydrophobicContact CD2-CD1 4.09Å; L63-L82 HydrophobicContact CD2-CD2 4.05Å; L66-L82 HydrophobicContact CD2-CD1 3.72Å; V79-L82 HydrophobicContact CB-CD1 4.09Å; V79-L82 HydrophobicContact CG1-CD1 4.3Å; V79-L82 WeakPolarHBondContact O-CB 3.44Å; V79-L82 WeakPolarHBondContact O-CG 3.35Å; V79-L82 PolarHBondContact O-N 3.3Å; L82-N84 PolarHBondContact O-N 3.15Å; L82-L85 HydrophobicContact CB-CB 4.14Å; L82-L85 HydrophobicContact CD1-CD1 4.48Å; L82-L85 HydrophobicContact CD1-CD2 4.48Å; L82-L85 WeakPolarHBondContact O-CB 3.5Å; L82-L85 PolarHBondContact O-N 3.21Å; L82-L104 HydrophobicContact CB-CD2 4.36Å; L82-L104 WeakPolarHBondContact O-CD2 3.39Å | ||
| 83 | I | 93.2 | Very high | 95.5 | Very high | 85 Ų | 85 | 32 Ų | 32 | 44% | 0.436 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -22.5 | -169.2 | 59 | 172.7 | 0 | 0 | 0 | 115.5 | G81 K103 N106 | G81-I83 VanDerWaalsContact C-N 3.26Å; G81-I83 PolarHBondContact O-N 3.07Å; I83-K103 HydrophobicContact CG2-CB 4.46Å; I83-N106 PolarHBondContact O-ND2 2.96Å |
| 84 | N | 95.1 | Very high | 95.5 | Very high | 63 Ų | 63 | 32.3 Ų | 32.3 | 34% | 0.337 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 5.9 | 179.8 | -68.8 | -29.4 | 0 | 0 | 0 | 113.8 | C61 L63 L82 T86 | C61-N84 PolarHBondContact O-ND2 3.16Å; L63-N84 CarbonylContact O-C 3.29Å; L82-N84 PolarHBondContact O-N 3.15Å; N84-T86 PolarHBondContact O-N 3.34Å |
| 85 | L | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -69.5 | 122.9 | -177.6 | -157.3 | 79.1 | 0 | 0 | 0 | 111.9 | L63 Q64 L66 L82 L88 L104 N106 L107 | L63-L85 HydrophobicContact CD2-CD1 4.18Å; L63-L85 HydrophobicContact CG-CD1 4.18Å; L63-L85 PolarHBondContact O-N 3.13Å; Q64-L85 CarbonylContact O-C 3.48Å; Q64-L85 WeakPolarHBondContact O-CA 3.37Å; Q64-L85 WeakPolarHBondContact O-CD1 3.5Å; L66-L85 HydrophobicContact CB-CD1 3.79Å; L66-L85 HydrophobicContact CB-CD2 4.36Å; L82-L85 HydrophobicContact CB-CB 4.14Å; L82-L85 HydrophobicContact CD1-CD1 4.48Å; L82-L85 HydrophobicContact CD1-CD2 4.48Å; L82-L85 WeakPolarHBondContact O-CB 3.5Å; L82-L85 PolarHBondContact O-N 3.21Å; L85-L88 HydrophobicContact CD2-CB 3.79Å; L85-L88 HydrophobicContact CD2-CD1 3.99Å; L85-L88 HydrophobicContact CD2-CD2 4.21Å; L85-L88 HydrophobicContact CD2-CG 4.21Å; L85-L104 HydrophobicContact CB-CD2 4.49Å; L85-L104 HydrophobicContact CD2-CD1 4.19Å; L85-N106 CarbonylContact O-C 3.45Å; L85-L107 HydrophobicContact CD2-CD1 4.28Å; L85-L107 HydrophobicContact CG-CD1 4.45Å; L85-L107 WeakPolarHBondContact O-CA 3.06Å; L85-L107 PolarHBondContact O-N 3.19Å | ||
| 86 | T | 98 | Very high | 95.8 | Very high | 17 Ų | 17 | 26 Ų | 26 | 10% | 0.104 | 16% | 0.159 | C | C | . | . | trans | -102.1 | -31.6 | 175.1 | 59.5 | 0 | 0 | 0 | 0 | 112.3 | Q64 N84 R108 W109 | Q64-T86 PolarHBondContact O-N 3.2Å; Q64-T86 PolarHBondContact O-OG1 3.29Å; N84-T86 PolarHBondContact O-N 3.34Å; T86-R108 PolarHBondContact O-N 3.45Å; T86-W109 PolarHBondContact O-N 3.4Å | ||
| 87 | I | 98.4 | Very high | 95.8 | Very high | 11 Ų | 11 | 28 Ų | 28 | 6% | 0.056 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 124.7 | -179.3 | -55.7 | -173 | 0 | 0 | 0 | 110.5 | Q64 Q65 L66 W109 L620 | Q64-I87 PolarHBondContact O-N 3.47Å; Q65-I87 WeakPolarHBondContact CA-O 3.1Å; Q65-I87 HydrophobicContact CB-CB 4.17Å; Q65-I87 HydrophobicContact CG-CB 4.02Å; Q65-I87 HydrophobicContact CG-CD1 4.13Å; Q65-I87 HydrophobicContact CG-CG1 4.18Å; L66-I87 PolarHBondContact N-O 3.17Å; I87-W109 HydrophobicContact CG1-CB 4.2Å; I87-W109 HydrophobicContact CG2-CB 4.32Å; I87-W109 HydrophobicContact CG2-CD2 4.21Å; I87-W109 HydrophobicContact CG2-CE3 3.65Å; I87-W109 HydrophobicContact CG2-CZ3 4.24Å; I87-L620 HydrophobicContact CG2-CD2 4.41Å |
| 88 | L | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 112.8 | 174.2 | -177.1 | 53.3 | 0 | 0 | 0 | 111.4 | L66 M76 V79 L85 L90 L101 L104 L107 W109 L110 N111 | L66-L88 HydrophobicContact CB-CD1 4.11Å; L66-L88 HydrophobicContact CD2-CD1 3.96Å; L66-L88 HydrophobicContact CG-CD1 4.1Å; M76-L88 HydrophobicContact CE-CD2 3.7Å; V79-L88 HydrophobicContact CB-CD2 4.49Å; V79-L88 HydrophobicContact CG1-CD1 4.14Å; V79-L88 HydrophobicContact CG1-CD2 4.18Å; V79-L88 HydrophobicContact CG2-CD2 4.21Å; L85-L88 HydrophobicContact CD2-CB 3.79Å; L85-L88 HydrophobicContact CD2-CD1 3.99Å; L85-L88 HydrophobicContact CD2-CD2 4.21Å; L85-L88 HydrophobicContact CD2-CG 4.21Å; L88-L90 HydrophobicContact CD1-CD1 3.82Å; L88-L90 HydrophobicContact CD1-CD2 4.01Å; L88-L90 HydrophobicContact CD1-CG 3.7Å; L88-L90 HydrophobicContact CD2-CD1 4.03Å; L88-L90 HydrophobicContact CG-CD1 3.9Å; L88-L90 HydrophobicContact CG-CG 3.98Å; L88-L101 HydrophobicContact CD2-CD2 4Å; L88-L104 HydrophobicContact CD2-CD1 4.29Å; L88-L107 HydrophobicContact CB-CD1 3.81Å; L88-W109 PolarHBondContact N-O 2.95Å; L88-L110 HydrophobicContact CB-CD1 3.94Å; L88-L110 HydrophobicContact CD2-CD1 3.93Å; L88-L110 HydrophobicContact CG-CD1 3.94Å; L88-L110 WeakPolarHBondContact O-CA 3.33Å; L88-N111 PolarHBondContact O-N 3.39Å |
| 89 | N | 98.4 | Very high | 96.3 | Very high | 15 Ų | 15 | 26.1 Ų | 26.1 | 8% | 0.08 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 106 | -178.1 | -168.3 | 38.1 | 0 | 0 | 0 | 110.8 | L66 S67 V68 P91 W109 | L66-N89 PolarHBondContact O-N 3.47Å; S67-N89 CarbonylContact C-O 3.54Å; S67-N89 WeakPolarHBondContact CA-O 3.18Å; S67-N89 PolarHBondContact OG-ND2 3.32Å; V68-N89 PolarHBondContact N-O 3.4Å; N89-P91 WeakPolarHBondContact OD1-CD 3.33Å; N89-W109 HydrophobicContact CB-CH2 4.21Å; N89-W109 HydrophobicContact CB-CZ3 3.63Å; N89-W109 VanDerWaalsContact OD1-CH2 3.29Å; N89-W109 WeakPolarHBondContact OD1-CH2 3.44Å; N89-W109 WeakPolarHBondContact OD1-CZ3 3.5Å |
| 90 | L | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -126.5 | 32.9 | -177.7 | -61.3 | 176.5 | 0 | 0 | 0 | 114.9 | L54 V68 L73 M76 L88 N93 I95 N111 L112 N115 | L54-L90 HydrophobicContact CD1-CD2 4.47Å; V68-L90 HydrophobicContact CB-CD2 3.67Å; V68-L90 HydrophobicContact CG2-CD2 3.77Å; L73-L90 HydrophobicContact CD1-CD2 3.96Å; M76-L90 HydrophobicContact CB-CD1 3.91Å; M76-L90 HydrophobicContact CE-CD1 3.75Å; M76-L90 HydrophobicContact SD-CD1 4.27Å; L88-L90 HydrophobicContact CD1-CD1 3.82Å; L88-L90 HydrophobicContact CD1-CD2 4.01Å; L88-L90 HydrophobicContact CD1-CG 3.7Å; L88-L90 HydrophobicContact CD2-CD1 4.03Å; L88-L90 HydrophobicContact CG-CD1 3.9Å; L88-L90 HydrophobicContact CG-CG 3.98Å; L90-N93 PolarHBondContact O-ND2 3.09Å; L90-N93 VanDerWaalsContact O-ND2 3.13Å; L90-I95 HydrophobicContact CB-CD1 3.96Å; L90-I95 HydrophobicContact CD1-CD1 4.01Å; L90-N111 PolarHBondContact N-O 2.94Å; L90-L112 HydrophobicContact CB-CD2 3.87Å; L90-L112 HydrophobicContact CD1-CD2 3.98Å; L90-N115 PolarHBondContact O-ND2 3.45Å | ||
| 91 | P | 97.9 | Very high | 96.3 | Very high | 14 Ų | 14 | 25.2 Ų | 25.2 | 9% | 0.091 | 15% | 0.153 | C | C | . | . | trans | -69.2 | 161.1 | -174.1 | 31.9 | -38.2 | 0 | 0 | 0 | 112.8 | A69 D70 N89 N93 S113 | A69-P91 WeakPolarHBondContact CA-O 3.5Å; A69-P91 HydrophobicContact CB-CG 3.66Å; D70-P91 PolarHBondContact N-O 3.39Å; N89-P91 WeakPolarHBondContact OD1-CD 3.33Å; P91-N93 VanDerWaalsContact C-N 3.3Å; P91-N93 PolarHBondContact O-N 3.32Å; P91-N93 PolarHBondContact O-ND2 3.17Å; P91-N93 VanDerWaalsContact O-ND2 3.07Å; P91-S113 CarbonylContact C-O 3.23Å; P91-S113 WeakPolarHBondContact CA-O 3.18Å; P91-S113 WeakPolarHBondContact CB-OG 3.36Å | ||
| 92 | N | 98.1 | Very high | 96.6 | Very high | 77 Ų | 77 | 26.8 Ų | 26.8 | 41% | 0.412 | 16% | 0.155 | S | C | . | . | S | Bend | trans | 55.4 | 39.2 | 175.3 | -60.4 | -20 | 0 | 0 | 0 | 114.3 | D70 S113 G114 | D70-N92 WeakPolarHBondContact OD1-CB 3.39Å; D70-N92 PolarHBondContact OD1-ND2 3.15Å; N92-S113 PolarHBondContact N-O 3.35Å; N92-G114 VanDerWaalsContact CA-O 3.31Å; N92-G114 WeakPolarHBondContact CA-O 3.41Å |
| 93 | N | 97.9 | Very high | 96.5 | Very high | 14 Ų | 14 | 33.3 Ų | 33.3 | 8% | 0.075 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -106.2 | -164.8 | 173.9 | -83.4 | -82.1 | 0 | 0 | 0 | 110.4 | V68 N71 K72 L73 L90 P91 I95 N115 | V68-N93 PolarHBondContact O-ND2 2.9Å; N71-N93 WeakPolarHBondContact CA-OD1 3.49Å; N71-N93 VanDerWaalsContact CB-OD1 3.24Å; N71-N93 WeakPolarHBondContact CB-OD1 3.38Å; N71-N93 PolarHBondContact O-OD1 2.69Å; K72-N93 PolarHBondContact N-OD1 3.14Å; L73-N93 HydrophobicContact CB-CB 4.16Å; L73-N93 WeakPolarHBondContact CB-OD1 3.45Å; L73-N93 WeakPolarHBondContact CG-OD1 3.12Å; L73-N93 PolarHBondContact N-OD1 2.88Å; L90-N93 PolarHBondContact O-ND2 3.09Å; L90-N93 VanDerWaalsContact O-ND2 3.13Å; P91-N93 VanDerWaalsContact C-N 3.3Å; P91-N93 PolarHBondContact O-N 3.32Å; P91-N93 PolarHBondContact O-ND2 3.17Å; P91-N93 VanDerWaalsContact O-ND2 3.07Å; N93-I95 HydrophobicContact CB-CD1 4.1Å; N93-I95 HydrophobicContact CB-CG1 4.08Å; N93-N115 WeakPolarHBondContact CA-OD1 3.45Å; N93-N115 WeakPolarHBondContact CB-OD1 3.41Å; N93-N115 PolarHBondContact O-OD1 3.13Å |
| 94 | G | 96.8 | Very high | 96.7 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 7% | 0.072 | 16% | 0.163 | C | C | . | . | trans | -116.3 | 26.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L73 N115 | L73-G94 CarbonylContact O-C 3.51Å; L73-G94 VanDerWaalsContact O-C 3.23Å; L73-G94 WeakPolarHBondContact O-CA 3.37Å; L73-G94 PolarHBondContact O-N 3.36Å; G94-N115 PolarHBondContact N-OD1 3.02Å | ||
| 95 | I | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -67 | 132.1 | -173.3 | -60 | 163.9 | 0 | 0 | 0 | 110 | L73 M76 L90 N93 T97 L112 N115 K116 L117 | L73-I95 HydrophobicContact CB-CD1 4.5Å; L73-I95 HydrophobicContact CB-CG1 4.18Å; L73-I95 PolarHBondContact O-N 3.47Å; M76-I95 HydrophobicContact CB-CD1 4.25Å; M76-I95 HydrophobicContact CG-CG2 4.31Å; M76-I95 HydrophobicContact SD-CG2 4.2Å; L90-I95 HydrophobicContact CB-CD1 3.96Å; L90-I95 HydrophobicContact CD1-CD1 4.01Å; N93-I95 HydrophobicContact CB-CD1 4.1Å; N93-I95 HydrophobicContact CB-CG1 4.08Å; I95-T97 WeakPolarHBondContact CG2-O 3.47Å; I95-L112 HydrophobicContact CD1-CD2 3.81Å; I95-N115 HydrophobicContact CB-CB 4.37Å; I95-N115 VanDerWaalsContact CB-OD1 3.25Å; I95-N115 WeakPolarHBondContact CB-OD1 3.28Å; I95-N115 WeakPolarHBondContact CG1-OD1 3.45Å; I95-N115 PolarHBondContact N-OD1 3.43Å; I95-K116 CarbonylContact O-C 3.49Å; I95-K116 WeakPolarHBondContact O-CA 3.4Å; I95-K116 WeakPolarHBondContact O-CB 3.32Å; I95-K116 PolarHBondContact O-N 3.29Å; I95-L117 HydrophobicContact CG2-CD2 4.26Å; I95-L117 PolarHBondContact O-N 3.26Å | ||
| 96 | V | 97 | Very high | 96.7 | Very high | 74 Ų | 74 | 32.3 Ų | 32.3 | 45% | 0.448 | 18% | 0.182 | S | C | . | . | trans | -108.7 | -25 | -176.3 | -172.3 | 0 | 0 | 0 | 0 | 113 | K116 | V96-K116 HydrophobicContact CG2-CB 4.24Š| ||
| 97 | T | 95.7 | Very high | 96.7 | Very high | 41 Ų | 41 | 31.5 Ų | 31.5 | 25% | 0.252 | 18% | 0.177 | S | C | . | . | trans | -136.1 | 151.7 | -178.3 | 55 | 0 | 0 | 0 | 0 | 110.9 | I95 D99 E121 | I95-T97 WeakPolarHBondContact CG2-O 3.47Å; T97-D99 VanDerWaalsContact CB-OD2 3.28Å; T97-D99 WeakPolarHBondContact CB-OD2 3.13Å; T97-D99 PolarHBondContact O-N 3.25Å; T97-D99 PolarHBondContact OG1-OD2 3.17Å; T97-E121 WeakPolarHBondContact CA-OE1 3.43Å; T97-E121 VanDerWaalsContact CB-OE1 3.28Å; T97-E121 WeakPolarHBondContact CB-OE1 3.44Å | ||
| 98 | M | 96 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -88.8 | 24.9 | -178.3 | -56.4 | -176.7 | 176 | 0 | 0 | 113.3 | G100 L101 L112 L117 I120 E121 Q122 L134 | M98-G100 PolarHBondContact O-N 3.09Å; M98-L101 HydrophobicContact CB-CD1 3.98Å; M98-L101 WeakPolarHBondContact O-CG 3.46Å; M98-L112 HydrophobicContact CE-CD1 4.42Å; M98-L112 HydrophobicContact CG-CD1 4.31Å; M98-L117 HydrophobicContact CE-CD1 3.62Å; M98-L117 HydrophobicContact CE-CD2 4.14Å; M98-L117 HydrophobicContact CE-CG 4.32Å; M98-L117 HydrophobicContact CG-CD2 3.74Å; M98-I120 HydrophobicContact CE-CB 4.38Å; M98-I120 HydrophobicContact CE-CG2 4.05Å; M98-I120 HydrophobicContact SD-CG2 4.12Å; M98-E121 HydrophobicContact CB-CG 3.97Å; M98-E121 WeakPolarHBondContact CB-O 3.23Å; M98-E121 HydrophobicContact CG-CG 4.19Å; M98-E121 PolarHBondContact N-OE1 3.28Å; M98-Q122 HydrophobicContact CB-CB 4.35Å; M98-L134 HydrophobicContact CE-CD1 4.02Å; M98-L134 HydrophobicContact CE-CD2 3.45Å; M98-L134 VanDerWaalsContact CE-CD2 3.45Å; M98-L134 HydrophobicContact CE-CG 4.39Å | ||
| 99 | D | 94.7 | Very high | 96.7 | Very high | 60 Ų | 60 | 36 Ų | 36 | 32% | 0.321 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 127.8 | -173.1 | -69.7 | -55.1 | 0 | 0 | 0 | 112.8 | M76 H77 T97 | M76-D99 CarbonylContact C-O 3.39Å; M76-D99 WeakPolarHBondContact CG-O 3.46Å; H77-D99 WeakPolarHBondContact CA-O 3.45Å; H77-D99 HydrophobicContact CB-CB 4.29Å; H77-D99 PolarHBondContact N-O 3.17Å; T97-D99 VanDerWaalsContact CB-OD2 3.28Å; T97-D99 WeakPolarHBondContact CB-OD2 3.13Å; T97-D99 PolarHBondContact O-N 3.25Å; T97-D99 PolarHBondContact OG1-OD2 3.17Å |
| 100 | G | 92.7 | Very high | 96.7 | Very high | 15 Ų | 15 | 35.2 Ų | 35.2 | 16% | 0.155 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 113.4 | -7.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | A80 M98 V102 | A80-G100 WeakPolarHBondContact CA-O 3.33Å; M98-G100 PolarHBondContact O-N 3.09Å; G100-V102 VanDerWaalsContact C-N 3.33Å; G100-V102 PolarHBondContact O-N 3.13Å |
| 101 | L | 96.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -72 | -20.1 | -177.8 | -65.6 | 179.6 | 0 | 0 | 0 | 115 | M76 L88 M98 K103 L104 L107 L110 Q122 L123 N126 | M76-L101 HydrophobicContact CE-CD1 4.25Å; M76-L101 HydrophobicContact CE-CD2 3.51Å; M76-L101 HydrophobicContact CE-CG 3.9Å; L88-L101 HydrophobicContact CD2-CD2 4Å; M98-L101 HydrophobicContact CB-CD1 3.98Å; M98-L101 WeakPolarHBondContact O-CG 3.46Å; L101-K103 PolarHBondContact O-N 3.12Å; L101-L104 HydrophobicContact CD2-CD1 3.8Å; L101-L104 WeakPolarHBondContact O-CB 3.23Å; L101-L104 PolarHBondContact O-N 3.27Å; L101-L107 HydrophobicContact CD2-CD2 4.13Å; L101-L110 HydrophobicContact CD1-CD2 3.69Å; L101-L110 HydrophobicContact CD2-CD2 4.39Å; L101-Q122 HydrophobicContact CB-CB 4.35Å; L101-L123 HydrophobicContact CD1-CD2 3.62Å; L101-N126 PolarHBondContact O-ND2 2.97Å |
| 102 | V | 95.1 | Very high | 96.8 | Very high | 69 Ų | 69 | 35 Ų | 35 | 42% | 0.418 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -54.4 | -27.7 | -173.7 | -175.4 | 0 | 0 | 0 | 0 | 114.7 | G100 Q122 T125 | G100-V102 VanDerWaalsContact C-N 3.33Å; G100-V102 PolarHBondContact O-N 3.13Å; V102-Q122 HydrophobicContact CG2-CB 4.43Å; V102-T125 VanDerWaalsContact CA-OG1 3.28Å; V102-T125 WeakPolarHBondContact CA-OG1 3.23Å; V102-T125 HydrophobicContact CG1-CG2 4.02Å; V102-T125 WeakPolarHBondContact O-CB 3.39Å; V102-T125 PolarHBondContact O-OG1 3.48Å |
| 103 | K | 93.8 | Very high | 96.8 | Very high | 137 Ų | 137 | 32.1 Ų | 32.1 | 60% | 0.596 | 17% | 0.173 | S | C | * | . | G | 310 helix | trans | -96.2 | -5.2 | 179.4 | -70.9 | -169.5 | 172.9 | -169 | 0 | 114.2 | A80 I83 L101 T105 | A80-K103 WeakPolarHBondContact O-CD 2.99Å; I83-K103 HydrophobicContact CG2-CB 4.46Å; L101-K103 PolarHBondContact O-N 3.12Å; K103-T105 VanDerWaalsContact C-N 3.26Å; K103-T105 PolarHBondContact O-N 3.41Å; K103-T105 VanDerWaalsContact O-N 3.13Å |
| 104 | L | 96.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -90.5 | 55.3 | -174.9 | -50.5 | -171.8 | 0 | 0 | 0 | 110.8 | V79 L82 L85 L88 L101 N106 L107 N126 | V79-L104 HydrophobicContact CB-CD1 4.38Å; V79-L104 HydrophobicContact CG2-CD1 3.91Å; L82-L104 HydrophobicContact CB-CD2 4.36Å; L82-L104 WeakPolarHBondContact O-CD2 3.39Å; L85-L104 HydrophobicContact CB-CD2 4.49Å; L85-L104 HydrophobicContact CD2-CD1 4.19Å; L88-L104 HydrophobicContact CD2-CD1 4.29Å; L101-L104 HydrophobicContact CD2-CD1 3.8Å; L101-L104 WeakPolarHBondContact O-CB 3.23Å; L101-L104 PolarHBondContact O-N 3.27Å; L104-N106 PolarHBondContact O-N 3.17Å; L104-N106 VanDerWaalsContact O-N 3.12Å; L104-L107 HydrophobicContact CB-CB 4.12Å; L104-L107 WeakPolarHBondContact O-CB 3.41Å; L104-L107 PolarHBondContact O-N 3.27Å; L104-N126 PolarHBondContact O-ND2 3.21Å | ||
| 105 | T | 95.8 | Very high | 96.9 | Very high | 63 Ų | 63 | 31.9 Ų | 31.9 | 39% | 0.387 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -19.7 | -176.5 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | K103 N128 | K103-T105 VanDerWaalsContact C-N 3.26Å; K103-T105 PolarHBondContact O-N 3.41Å; K103-T105 VanDerWaalsContact O-N 3.13Å; T105-N128 PolarHBondContact O-ND2 3.25Å |
| 106 | N | 97.2 | Very high | 96.9 | Very high | 65 Ų | 65 | 36.6 Ų | 36.6 | 35% | 0.348 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -3.7 | 178.2 | -63.4 | -41.6 | 0 | 0 | 0 | 113.8 | I83 L85 L104 R108 | I83-N106 PolarHBondContact O-ND2 2.96Å; L85-N106 CarbonylContact O-C 3.45Å; L104-N106 PolarHBondContact O-N 3.17Å; L104-N106 VanDerWaalsContact O-N 3.12Å; N106-R108 PolarHBondContact O-N 3.47Å |
| 107 | L | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -64.7 | 121.8 | -175.6 | -163 | 70.3 | 0 | 0 | 0 | 111 | L85 L88 L101 L104 L110 N128 L129 | L85-L107 HydrophobicContact CD2-CD1 4.28Å; L85-L107 HydrophobicContact CG-CD1 4.45Å; L85-L107 WeakPolarHBondContact O-CA 3.06Å; L85-L107 PolarHBondContact O-N 3.19Å; L88-L107 HydrophobicContact CB-CD1 3.81Å; L101-L107 HydrophobicContact CD2-CD2 4.13Å; L104-L107 HydrophobicContact CB-CB 4.12Å; L104-L107 WeakPolarHBondContact O-CB 3.41Å; L104-L107 PolarHBondContact O-N 3.27Å; L107-L110 HydrophobicContact CD2-CB 4.08Å; L107-L110 HydrophobicContact CD2-CD1 4.38Å; L107-L110 HydrophobicContact CD2-CD2 4.23Å; L107-L110 HydrophobicContact CD2-CG 4.47Å; L107-N128 CarbonylContact O-C 3.22Å; L107-N128 VanDerWaalsContact O-C 3.22Å; L107-L129 HydrophobicContact CB-CD1 4.44Å; L107-L129 HydrophobicContact CD2-CD1 4.1Å; L107-L129 HydrophobicContact CG-CD1 3.95Å; L107-L129 VanDerWaalsContact O-CA 3.28Å; L107-L129 WeakPolarHBondContact O-CA 3.46Å; L107-L129 PolarHBondContact O-N 3.36Å; L107-L129 VanDerWaalsContact O-N 3.11Å | ||
| 108 | R | 98.5 | Very high | 97 | Very high | 80 Ų | 80 | 37 Ų | 37 | 30% | 0.302 | 19% | 0.185 | S | C | . | . | trans | -105.2 | -33.4 | 179.4 | -63.6 | 178.3 | -179.5 | -168.9 | 0.1 | 111.9 | T86 N106 K130 H131 D623 | T86-R108 PolarHBondContact O-N 3.45Å; N106-R108 PolarHBondContact O-N 3.47Å; R108-K130 PolarHBondContact O-N 3.48Å; R108-H131 PolarHBondContact O-N 3.45Å; R108-H131 VanDerWaalsContact O-N 3.08Å; R108-D623 IonicContact CZ-OD1 3.8Å; R108-D623 IonicContact CZ-OD2 2.71Å; R108-D623 IonicContact NH1-OD1 3.89Å; R108-D623 PolarHBondContact NH1-OD1 3.04Å; R108-D623 IonicContact NH1-OD2 3.75Å; R108-D623 PolarHBondContact NH1-OD2 3.42Å | ||
| 109 | W | 98.6 | Very high | 97.1 | Very high | 24 Ų | 24 | 39.2 Ų | 39.2 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 126 | -175.9 | -168 | 103.7 | 0 | 0 | 0 | 110.5 | T86 I87 L88 N89 N111 H131 V618 | T86-W109 PolarHBondContact O-N 3.4Å; I87-W109 HydrophobicContact CG1-CB 4.2Å; I87-W109 HydrophobicContact CG2-CB 4.32Å; I87-W109 HydrophobicContact CG2-CD2 4.21Å; I87-W109 HydrophobicContact CG2-CE3 3.65Å; I87-W109 HydrophobicContact CG2-CZ3 4.24Å; L88-W109 PolarHBondContact N-O 2.95Å; N89-W109 HydrophobicContact CB-CH2 4.21Å; N89-W109 HydrophobicContact CB-CZ3 3.63Å; N89-W109 VanDerWaalsContact OD1-CH2 3.29Å; N89-W109 WeakPolarHBondContact OD1-CH2 3.44Å; N89-W109 WeakPolarHBondContact OD1-CZ3 3.5Å; W109-N111 HydrophobicContact CE3-CB 4.13Å; W109-N111 HydrophobicContact CH2-CB 3.21Å; W109-N111 HydrophobicContact CZ2-CB 3.95Å; W109-N111 HydrophobicContact CZ3-CB 3.28Å; W109-H131 VanDerWaalsContact CD1-CB 3.4Å; W109-H131 AromaticContact CD1-CG 3.43Å; W109-H131 VanDerWaalsContact CD1-CG 3.43Å; W109-H131 AromaticContact CD1-ND1 3.61Å; W109-H131 AromaticContact CE2-CE1 3.93Å; W109-H131 AromaticContact CE2-ND1 3.73Å; W109-H131 HydrophobicContact CG-CB 4.07Å; W109-H131 AromaticContact NE1-CD2 3.74Å; W109-H131 AromaticContact NE1-CE1 3.5Å; W109-H131 AromaticContact NE1-CG 3.4Å; W109-H131 AromaticContact NE1-ND1 3.24Å; W109-H131 PolarHBondContact NE1-ND1 3.01Å; W109-H131 AromaticContact NE1-NE2 3.81Å; W109-V618 HydrophobicContact CH2-CG1 4.35Å; W109-V618 HydrophobicContact CZ2-CG1 3.92Å |
| 110 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 126.1 | 177.7 | 178.5 | 57.6 | 0 | 0 | 0 | 109.9 | L88 L101 L107 L112 L123 L129 H131 L132 D133 | L88-L110 HydrophobicContact CB-CD1 3.94Å; L88-L110 HydrophobicContact CD2-CD1 3.93Å; L88-L110 HydrophobicContact CG-CD1 3.94Å; L88-L110 WeakPolarHBondContact O-CA 3.33Å; L101-L110 HydrophobicContact CD1-CD2 3.69Å; L101-L110 HydrophobicContact CD2-CD2 4.39Å; L107-L110 HydrophobicContact CD2-CB 4.08Å; L107-L110 HydrophobicContact CD2-CD1 4.38Å; L107-L110 HydrophobicContact CD2-CD2 4.23Å; L107-L110 HydrophobicContact CD2-CG 4.47Å; L110-L112 HydrophobicContact CD1-CD1 3.95Å; L110-L112 HydrophobicContact CD1-CG 4Å; L110-L112 HydrophobicContact CD2-CD1 3.97Å; L110-L112 HydrophobicContact CG-CD1 4.04Å; L110-L112 HydrophobicContact CG-CG 4.35Å; L110-L123 HydrophobicContact CD2-CD2 3.96Å; L110-L129 HydrophobicContact CB-CD1 3.82Å; L110-H131 PolarHBondContact N-O 2.84Å; L110-L132 HydrophobicContact CB-CD1 4.14Å; L110-L132 HydrophobicContact CD2-CD1 3.88Å; L110-L132 HydrophobicContact CG-CD1 4.04Å; L110-L132 WeakPolarHBondContact O-CA 3.45Å; L110-D133 PolarHBondContact O-N 2.94Å |
| 111 | N | 98.7 | Very high | 97.3 | Very high | 9 Ų | 9 | 38.9 Ų | 38.9 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 119.9 | 170.6 | -172 | -23 | 0 | 0 | 0 | 110.6 | L88 L90 W109 S113 D133 | L88-N111 PolarHBondContact O-N 3.39Å; L90-N111 PolarHBondContact N-O 2.94Å; W109-N111 HydrophobicContact CE3-CB 4.13Å; W109-N111 HydrophobicContact CH2-CB 3.21Å; W109-N111 HydrophobicContact CZ2-CB 3.95Å; W109-N111 HydrophobicContact CZ3-CB 3.28Å; N111-S113 VanDerWaalsContact OD1-CB 3.29Å; N111-S113 WeakPolarHBondContact OD1-CB 3.48Å; N111-S113 PolarHBondContact OD1-N 3.32Å; N111-S113 PolarHBondContact OD1-OG 3.37Å; N111-D133 HydrophobicContact CB-CB 4.12Å; N111-D133 PolarHBondContact ND2-OD2 3.15Å; N111-D133 PolarHBondContact OD1-OD2 2.87Å |
| 112 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -126.1 | 25.9 | 175.1 | -71.4 | 159.3 | 0 | 0 | 0 | 110.7 | M76 L90 I95 M98 L110 N115 L117 D133 L134 N137 | M76-L112 HydrophobicContact CE-CD1 4.39Å; M76-L112 HydrophobicContact CE-CD2 4.2Å; M76-L112 HydrophobicContact SD-CD1 4.1Å; M76-L112 HydrophobicContact SD-CD2 3.69Å; L90-L112 HydrophobicContact CB-CD2 3.87Å; L90-L112 HydrophobicContact CD1-CD2 3.98Å; I95-L112 HydrophobicContact CD1-CD2 3.81Å; M98-L112 HydrophobicContact CE-CD1 4.42Å; M98-L112 HydrophobicContact CG-CD1 4.31Å; L110-L112 HydrophobicContact CD1-CD1 3.95Å; L110-L112 HydrophobicContact CD1-CG 4Å; L110-L112 HydrophobicContact CD2-CD1 3.97Å; L110-L112 HydrophobicContact CG-CD1 4.04Å; L110-L112 HydrophobicContact CG-CG 4.35Å; L112-N115 WeakPolarHBondContact O-CB 3.47Å; L112-N115 PolarHBondContact O-ND2 3.42Å; L112-L117 HydrophobicContact CB-CD1 3.75Å; L112-L117 HydrophobicContact CD1-CD1 4.2Å; L112-L117 HydrophobicContact CG-CD1 4.46Å; L112-D133 PolarHBondContact N-O 3.48Å; L112-L134 HydrophobicContact CB-CD2 3.98Å; L112-L134 HydrophobicContact CD1-CD2 4.19Å; L112-N137 PolarHBondContact O-ND2 3.26Å | ||
| 113 | S | 98.5 | Very high | 97.3 | Very high | 16 Ų | 16 | 38.7 Ų | 38.7 | 11% | 0.112 | 19% | 0.186 | C | C | . | . | trans | -60.7 | 155 | 178.5 | 59.1 | 0 | 0 | 0 | 0 | 113 | P91 N92 N111 N115 S135 | P91-S113 CarbonylContact C-O 3.23Å; P91-S113 WeakPolarHBondContact CA-O 3.18Å; P91-S113 WeakPolarHBondContact CB-OG 3.36Å; N92-S113 PolarHBondContact N-O 3.35Å; N111-S113 VanDerWaalsContact OD1-CB 3.29Å; N111-S113 WeakPolarHBondContact OD1-CB 3.48Å; N111-S113 PolarHBondContact OD1-N 3.32Å; N111-S113 PolarHBondContact OD1-OG 3.37Å; S113-N115 VanDerWaalsContact C-N 3.29Å; S113-N115 PolarHBondContact O-N 3.06Å; S113-N115 PolarHBondContact O-ND2 3.01Å; S113-S135 CarbonylContact C-O 3.5Å; S113-S135 WeakPolarHBondContact CA-O 3.45Å; S113-S135 WeakPolarHBondContact CB-O 3.43Å; S113-S135 WeakPolarHBondContact CB-OG 3.5Å | ||
| 114 | G | 98.1 | Very high | 97.3 | Very high | 12 Ų | 12 | 37.6 Ų | 37.6 | 12% | 0.124 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 62.2 | 34.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N92 S135 D136 | N92-G114 VanDerWaalsContact CA-O 3.31Å; N92-G114 WeakPolarHBondContact CA-O 3.41Å; G114-S135 PolarHBondContact N-O 3.02Å; G114-D136 CarbonylContact C-O 3.47Å; G114-D136 WeakPolarHBondContact CA-O 3.27Å; G114-D136 PolarHBondContact N-O 3.39Å; G114-D136 VanDerWaalsContact N-O 3.13Å |
| 115 | N | 98.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.027 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -112 | -156.9 | 179.5 | -84.3 | -81.2 | 0 | 0 | 0 | 110.8 | L90 N93 G94 I95 L112 S113 L117 D136 N137 | L90-N115 PolarHBondContact O-ND2 3.45Å; N93-N115 WeakPolarHBondContact CA-OD1 3.45Å; N93-N115 WeakPolarHBondContact CB-OD1 3.41Å; N93-N115 PolarHBondContact O-OD1 3.13Å; G94-N115 PolarHBondContact N-OD1 3.02Å; I95-N115 HydrophobicContact CB-CB 4.37Å; I95-N115 VanDerWaalsContact CB-OD1 3.25Å; I95-N115 WeakPolarHBondContact CB-OD1 3.28Å; I95-N115 WeakPolarHBondContact CG1-OD1 3.45Å; I95-N115 PolarHBondContact N-OD1 3.43Å; L112-N115 WeakPolarHBondContact O-CB 3.47Å; L112-N115 PolarHBondContact O-ND2 3.42Å; S113-N115 VanDerWaalsContact C-N 3.29Å; S113-N115 PolarHBondContact O-N 3.06Å; S113-N115 PolarHBondContact O-ND2 3.01Å; N115-L117 HydrophobicContact CB-CD1 4.46Å; N115-L117 HydrophobicContact CB-CG 4.4Å; N115-D136 PolarHBondContact N-O 3.26Å; N115-N137 WeakPolarHBondContact CA-OD1 3.28Å; N115-N137 VanDerWaalsContact CB-OD1 3.28Å; N115-N137 WeakPolarHBondContact CB-OD1 3.5Å; N115-N137 PolarHBondContact O-OD1 3.03Å |
| 116 | K | 97.9 | Very high | 97.3 | Very high | 99 Ų | 99 | 36.8 Ų | 36.8 | 43% | 0.43 | 18% | 0.182 | S | C | . | . | trans | -128.5 | 25.5 | -175.3 | -56.6 | -173.5 | 178.8 | 177.4 | 0 | 112.2 | I95 V96 N137 Y138 | I95-K116 CarbonylContact O-C 3.49Å; I95-K116 WeakPolarHBondContact O-CA 3.4Å; I95-K116 WeakPolarHBondContact O-CB 3.32Å; I95-K116 PolarHBondContact O-N 3.29Å; V96-K116 HydrophobicContact CG2-CB 4.24Å; K116-N137 PolarHBondContact N-OD1 3.39Å; K116-Y138 HydrophobicContact CB-CD2 4.21Å; K116-Y138 HydrophobicContact CB-CE2 4Å; K116-Y138 HydrophobicContact CG-CE2 4.01Å | ||
| 117 | L | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -66.2 | 140.3 | 179.5 | -60.8 | 162.2 | 0 | 0 | 0 | 109.8 | I95 M98 L112 N115 L134 N137 Y138 I139 | I95-L117 HydrophobicContact CG2-CD2 4.26Å; I95-L117 PolarHBondContact O-N 3.26Å; M98-L117 HydrophobicContact CE-CD1 3.62Å; M98-L117 HydrophobicContact CE-CD2 4.14Å; M98-L117 HydrophobicContact CE-CG 4.32Å; M98-L117 HydrophobicContact CG-CD2 3.74Å; L112-L117 HydrophobicContact CB-CD1 3.75Å; L112-L117 HydrophobicContact CD1-CD1 4.2Å; L112-L117 HydrophobicContact CG-CD1 4.46Å; N115-L117 HydrophobicContact CB-CD1 4.46Å; N115-L117 HydrophobicContact CB-CG 4.4Å; L117-L134 HydrophobicContact CD1-CD2 4.07Å; L117-N137 HydrophobicContact CB-CB 4.37Å; L117-N137 VanDerWaalsContact CB-OD1 3.25Å; L117-N137 WeakPolarHBondContact CB-OD1 3.38Å; L117-N137 WeakPolarHBondContact CG-OD1 3.39Å; L117-N137 PolarHBondContact N-OD1 3.5Å; L117-Y138 CarbonylContact O-C 3.59Å; L117-Y138 VanDerWaalsContact O-C 3.24Å; L117-Y138 VanDerWaalsContact O-CA 3.26Å; L117-Y138 WeakPolarHBondContact O-CA 3.41Å; L117-Y138 WeakPolarHBondContact O-CB 3.37Å; L117-Y138 PolarHBondContact O-N 2.96Å; L117-I139 HydrophobicContact CB-CG1 4.48Å; L117-I139 PolarHBondContact O-N 3.41Å | ||
| 118 | K | 97.5 | Very high | 97.2 | Very high | 122 Ų | 122 | 38.8 Ų | 38.8 | 53% | 0.53 | 20% | 0.195 | S | C | . | . | trans | -116 | -20.9 | 178.3 | -67.3 | -175.7 | 177.5 | -171.9 | 0 | 113.9 | I139 Y140 | K118-I139 WeakPolarHBondContact O-CA 3.2Å; K118-Y140 HydrophobicContact CB-CD1 4.44Å; K118-Y140 HydrophobicContact CB-CE1 4.21Å; K118-Y140 WeakPolarHBondContact O-CD1 3.18Å; K118-Y140 WeakPolarHBondContact O-CE1 3.36Å | ||
| 119 | V | 96.8 | Very high | 97.2 | Very high | 48 Ų | 48 | 35 Ų | 35 | 29% | 0.291 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -140.6 | 148.5 | -176.4 | -176.6 | 0 | 0 | 0 | 0 | 106.4 | Y140 | V119-Y140 HydrophobicContact CG2-CE1 3.79Å; V119-Y140 WeakPolarHBondContact CG2-OH 3.32Å |
| 120 | I | 96.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | trans | -92.3 | 125 | 171.7 | -47.1 | 177.6 | 0 | 0 | 0 | 106.6 | M98 L123 L134 I139 Q143 L145 L156 | M98-I120 HydrophobicContact CE-CB 4.38Å; M98-I120 HydrophobicContact CE-CG2 4.05Å; M98-I120 HydrophobicContact SD-CG2 4.12Å; I120-L123 HydrophobicContact CG2-CD1 3.59Å; I120-L134 HydrophobicContact CB-CD1 4.5Å; I120-L134 HydrophobicContact CD1-CD1 3.72Å; I120-L134 HydrophobicContact CG1-CD1 3.85Å; I120-L134 HydrophobicContact CG2-CD1 3.92Å; I120-I139 HydrophobicContact CD1-CD1 4.34Å; I120-I139 HydrophobicContact CD1-CG2 4.25Å; I120-I139 HydrophobicContact CG1-CD1 3.9Å; I120-I139 HydrophobicContact CG1-CG1 4.37Å; I120-I139 HydrophobicContact CG1-CG2 3.99Å; I120-Q143 HydrophobicContact CB-CB 3.98Å; I120-Q143 WeakPolarHBondContact O-CG 3.18Å; I120-L145 HydrophobicContact CD1-CD1 4.27Å; I120-L145 HydrophobicContact CG2-CD2 3.91Å; I120-L156 HydrophobicContact CD1-CD2 4.01Å | ||
| 121 | E | 95 | Very high | 97.2 | Very high | 65 Ų | 65 | 40.3 Ų | 40.3 | 30% | 0.304 | 21% | 0.205 | S | C | . | . | trans | -151.6 | 169 | -171.2 | 60.1 | 178.5 | 175.8 | 0 | 0 | 111.1 | T97 M98 L123 | T97-E121 WeakPolarHBondContact CA-OE1 3.43Å; T97-E121 VanDerWaalsContact CB-OE1 3.28Å; T97-E121 WeakPolarHBondContact CB-OE1 3.44Å; M98-E121 HydrophobicContact CB-CG 3.97Å; M98-E121 WeakPolarHBondContact CB-O 3.23Å; M98-E121 HydrophobicContact CG-CG 4.19Å; M98-E121 PolarHBondContact N-OE1 3.28Å; E121-L123 PolarHBondContact O-N 2.99Å; E121-L123 VanDerWaalsContact O-N 3.09Å | ||
| 122 | Q | 94.6 | Very high | 97.2 | Very high | 61 Ų | 61 | 39.9 Ų | 39.9 | 29% | 0.285 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 63.4 | 11 | 174.9 | -52.7 | -69.6 | -50.9 | 0 | 0 | 115.8 | M98 L101 V102 N126 | M98-Q122 HydrophobicContact CB-CB 4.35Å; L101-Q122 HydrophobicContact CB-CB 4.35Å; V102-Q122 HydrophobicContact CG2-CB 4.43Å; Q122-N126 PolarHBondContact O-OD1 3.23Å |
| 123 | L | 96.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | trans | -90.5 | 1.7 | -179 | -67 | 179.8 | 0 | 0 | 0 | 114.7 | L101 L110 I120 E121 T125 N126 L132 L145 H147 L148 | L101-L123 HydrophobicContact CD1-CD2 3.62Å; L110-L123 HydrophobicContact CD2-CD2 3.96Å; I120-L123 HydrophobicContact CG2-CD1 3.59Å; E121-L123 PolarHBondContact O-N 2.99Å; E121-L123 VanDerWaalsContact O-N 3.09Å; L123-T125 PolarHBondContact O-N 3Å; L123-T125 VanDerWaalsContact O-N 3.08Å; L123-N126 WeakPolarHBondContact CA-OD1 3.5Å; L123-N126 PolarHBondContact O-N 2.99Å; L123-L132 HydrophobicContact CD1-CD2 3.61Å; L123-L145 HydrophobicContact CD1-CD2 3.93Å; L123-H147 PolarHBondContact O-NE2 2.89Å; L123-L148 HydrophobicContact CB-CD1 4.5Å; L123-L148 HydrophobicContact CD1-CD1 4.26Å | ||
| 124 | D | 94.3 | Very high | 97.2 | Very high | 115 Ų | 115 | 39.8 Ų | 39.8 | 62% | 0.615 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -29.1 | -171 | -53.3 | -61.2 | 0 | 0 | 0 | 114 | H147 | D124-H147 WeakPolarHBondContact CA-NE2 3.46Å; D124-H147 PolarHBondContact O-CD2 3.25Å |
| 125 | T | 95 | Very high | 97.2 | Very high | 45 Ų | 45 | 39.6 Ų | 39.6 | 28% | 0.276 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -10.6 | -175.4 | 54.4 | 0 | 0 | 0 | 0 | 114 | V102 L123 V127 | V102-T125 VanDerWaalsContact CA-OG1 3.28Å; V102-T125 WeakPolarHBondContact CA-OG1 3.23Å; V102-T125 HydrophobicContact CG1-CG2 4.02Å; V102-T125 WeakPolarHBondContact O-CB 3.39Å; V102-T125 PolarHBondContact O-OG1 3.48Å; L123-T125 PolarHBondContact O-N 3Å; L123-T125 VanDerWaalsContact O-N 3.08Å; T125-V127 PolarHBondContact O-N 3.47Å |
| 126 | N | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -84.6 | 45.9 | -173.3 | -52.5 | 105.7 | 0 | 0 | 0 | 111.6 | L101 L104 Q122 L123 N128 L129 L148 | L101-N126 PolarHBondContact O-ND2 2.97Å; L104-N126 PolarHBondContact O-ND2 3.21Å; Q122-N126 PolarHBondContact O-OD1 3.23Å; L123-N126 WeakPolarHBondContact CA-OD1 3.5Å; L123-N126 PolarHBondContact O-N 2.99Å; N126-N128 PolarHBondContact O-N 3.09Å; N126-L129 HydrophobicContact CB-CB 4.44Å; N126-L129 WeakPolarHBondContact O-CB 3.18Å; N126-L129 PolarHBondContact O-N 3.29Å; N126-L148 WeakPolarHBondContact O-CD2 3.2Å | ||
| 127 | V | 95.8 | Very high | 97.3 | Very high | 62 Ų | 62 | 39.3 Ų | 39.3 | 38% | 0.376 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -13.3 | -174.7 | -61.9 | 0 | 0 | 0 | 0 | 114.7 | T125 | T125-V127 PolarHBondContact O-N 3.47Š|
| 128 | N | 97.7 | Very high | 97.2 | Very high | 46 Ų | 46 | 44.5 Ų | 44.5 | 25% | 0.246 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -0.8 | 175.2 | -70.8 | -54.9 | 0 | 0 | 0 | 114.3 | T105 L107 N126 K130 K150 | T105-N128 PolarHBondContact O-ND2 3.25Å; L107-N128 CarbonylContact O-C 3.22Å; L107-N128 VanDerWaalsContact O-C 3.22Å; N126-N128 PolarHBondContact O-N 3.09Å; N128-K130 PolarHBondContact O-N 3.36Å; N128-K150 PolarHBondContact OD1-NZ 3.28Å |
| 129 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -66.8 | 118.2 | -176.8 | -162 | 73.4 | 0 | 0 | 0 | 110.6 | L107 L110 N126 L132 L148 K150 L151 | L107-L129 HydrophobicContact CB-CD1 4.44Å; L107-L129 HydrophobicContact CD2-CD1 4.1Å; L107-L129 HydrophobicContact CG-CD1 3.95Å; L107-L129 VanDerWaalsContact O-CA 3.28Å; L107-L129 WeakPolarHBondContact O-CA 3.46Å; L107-L129 PolarHBondContact O-N 3.36Å; L107-L129 VanDerWaalsContact O-N 3.11Å; L110-L129 HydrophobicContact CB-CD1 3.82Å; N126-L129 HydrophobicContact CB-CB 4.44Å; N126-L129 WeakPolarHBondContact O-CB 3.18Å; N126-L129 PolarHBondContact O-N 3.29Å; L129-L132 HydrophobicContact CD2-CB 3.91Å; L129-L132 HydrophobicContact CD2-CD1 4.21Å; L129-L132 HydrophobicContact CD2-CD2 4.13Å; L129-L132 HydrophobicContact CD2-CG 4.32Å; L129-L148 HydrophobicContact CD2-CD1 4.27Å; L129-K150 CarbonylContact O-C 3.39Å; L129-K150 VanDerWaalsContact O-C 3.27Å; L129-L151 HydrophobicContact CD2-CD1 4.19Å; L129-L151 HydrophobicContact CG-CD1 4.18Å; L129-L151 WeakPolarHBondContact O-CA 3.46Å; L129-L151 PolarHBondContact O-N 3.07Å; L129-L151 VanDerWaalsContact O-N 3.11Å | ||
| 130 | K | 98.5 | Very high | 97.3 | Very high | 96 Ų | 96 | 42 Ų | 42 | 42% | 0.417 | 20% | 0.203 | S | C | . | . | trans | -95.2 | -32 | 176 | -66.3 | -175.2 | 176.8 | -176.2 | 0 | 112.3 | R108 N128 K150 K152 T153 | R108-K130 PolarHBondContact O-N 3.48Å; N128-K130 PolarHBondContact O-N 3.36Å; K130-K150 WeakPolarHBondContact CA-O 3.4Å; K130-K152 PolarHBondContact O-N 2.88Å; K130-T153 PolarHBondContact O-N 3.1Å | ||
| 131 | H | 98.7 | Very high | 97.2 | Very high | 40 Ų | 40 | 46 Ų | 46 | 19% | 0.185 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 127.2 | -175.2 | -175.6 | -72.3 | 0 | 0 | 0 | 111.5 | R108 W109 L110 | R108-H131 PolarHBondContact O-N 3.45Å; R108-H131 VanDerWaalsContact O-N 3.08Å; W109-H131 VanDerWaalsContact CD1-CB 3.4Å; W109-H131 AromaticContact CD1-CG 3.43Å; W109-H131 VanDerWaalsContact CD1-CG 3.43Å; W109-H131 AromaticContact CD1-ND1 3.61Å; W109-H131 AromaticContact CE2-CE1 3.93Å; W109-H131 AromaticContact CE2-ND1 3.73Å; W109-H131 HydrophobicContact CG-CB 4.07Å; W109-H131 AromaticContact NE1-CD2 3.74Å; W109-H131 AromaticContact NE1-CE1 3.5Å; W109-H131 AromaticContact NE1-CG 3.4Å; W109-H131 AromaticContact NE1-ND1 3.24Å; W109-H131 PolarHBondContact NE1-ND1 3.01Å; W109-H131 AromaticContact NE1-NE2 3.81Å; L110-H131 PolarHBondContact N-O 2.84Å |
| 132 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 112.1 | 178.8 | 179.5 | 51.7 | 0 | 0 | 0 | 110.1 | L110 L123 L129 L134 L145 L148 L151 T153 L154 L155 | L110-L132 HydrophobicContact CB-CD1 4.14Å; L110-L132 HydrophobicContact CD2-CD1 3.88Å; L110-L132 HydrophobicContact CG-CD1 4.04Å; L110-L132 WeakPolarHBondContact O-CA 3.45Å; L123-L132 HydrophobicContact CD1-CD2 3.61Å; L129-L132 HydrophobicContact CD2-CB 3.91Å; L129-L132 HydrophobicContact CD2-CD1 4.21Å; L129-L132 HydrophobicContact CD2-CD2 4.13Å; L129-L132 HydrophobicContact CD2-CG 4.32Å; L132-L134 HydrophobicContact CD1-CD1 3.99Å; L132-L134 HydrophobicContact CD1-CD2 3.86Å; L132-L134 HydrophobicContact CD1-CG 3.68Å; L132-L134 HydrophobicContact CD2-CD1 3.93Å; L132-L134 HydrophobicContact CD2-CG 4.45Å; L132-L134 HydrophobicContact CG-CD1 3.89Å; L132-L134 HydrophobicContact CG-CG 3.85Å; L132-L145 HydrophobicContact CD2-CD1 4.42Å; L132-L148 HydrophobicContact CD2-CD1 4.4Å; L132-L151 HydrophobicContact CB-CD1 3.72Å; L132-T153 PolarHBondContact N-O 2.9Å; L132-L154 HydrophobicContact CB-CD1 4.1Å; L132-L154 HydrophobicContact CD2-CD1 3.89Å; L132-L154 HydrophobicContact CG-CD1 3.89Å; L132-L154 WeakPolarHBondContact O-CA 3.31Å; L132-L155 PolarHBondContact O-N 3.21Å |
| 133 | D | 98.7 | Very high | 97.1 | Very high | 14 Ų | 14 | 44.3 Ų | 44.3 | 8% | 0.075 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 115.7 | 173 | -176.1 | 5.2 | 0 | 0 | 0 | 110.6 | L110 N111 L112 S135 L155 | L110-D133 PolarHBondContact O-N 2.94Å; N111-D133 HydrophobicContact CB-CB 4.12Å; N111-D133 PolarHBondContact ND2-OD2 3.15Å; N111-D133 PolarHBondContact OD1-OD2 2.87Å; L112-D133 PolarHBondContact N-O 3.48Å; D133-S135 VanDerWaalsContact OD1-CB 3.28Å; D133-S135 WeakPolarHBondContact OD1-CB 3.38Å; D133-S135 PolarHBondContact OD1-N 3.08Å; D133-S135 PolarHBondContact OD1-OG 2.64Å; D133-L155 HydrophobicContact CB-CB 4.3Å; D133-L155 HydrophobicContact CB-CD1 4.21Å |
| 134 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -127.3 | 20.9 | -179.8 | -63.5 | 178.6 | 0 | 0 | 0 | 110.6 | M98 L112 L117 I120 L132 N137 I139 L155 L156 N159 | M98-L134 HydrophobicContact CE-CD1 4.02Å; M98-L134 HydrophobicContact CE-CD2 3.45Å; M98-L134 VanDerWaalsContact CE-CD2 3.45Å; M98-L134 HydrophobicContact CE-CG 4.39Å; L112-L134 HydrophobicContact CB-CD2 3.98Å; L112-L134 HydrophobicContact CD1-CD2 4.19Å; L117-L134 HydrophobicContact CD1-CD2 4.07Å; I120-L134 HydrophobicContact CB-CD1 4.5Å; I120-L134 HydrophobicContact CD1-CD1 3.72Å; I120-L134 HydrophobicContact CG1-CD1 3.85Å; I120-L134 HydrophobicContact CG2-CD1 3.92Å; L132-L134 HydrophobicContact CD1-CD1 3.99Å; L132-L134 HydrophobicContact CD1-CD2 3.86Å; L132-L134 HydrophobicContact CD1-CG 3.68Å; L132-L134 HydrophobicContact CD2-CD1 3.93Å; L132-L134 HydrophobicContact CD2-CG 4.45Å; L132-L134 HydrophobicContact CG-CD1 3.89Å; L132-L134 HydrophobicContact CG-CG 3.85Å; L134-N137 PolarHBondContact O-ND2 3.22Å; L134-I139 HydrophobicContact CB-CD1 3.79Å; L134-I139 HydrophobicContact CD1-CD1 4.1Å; L134-I139 HydrophobicContact CG-CD1 4.45Å; L134-L155 CarbonylContact C-O 3.2Å; L134-L155 WeakPolarHBondContact CA-O 3.28Å; L134-L155 PolarHBondContact N-O 3.09Å; L134-L156 HydrophobicContact CB-CD2 3.76Å; L134-L156 HydrophobicContact CD1-CD2 4.11Å; L134-N159 PolarHBondContact O-ND2 3.3Å | ||
| 135 | S | 98.3 | Very high | 97.1 | Very high | 7 Ų | 7 | 41 Ų | 41 | 5% | 0.049 | 20% | 0.197 | C | C | . | . | trans | -65.9 | 161.3 | 179.8 | 60.3 | 0 | 0 | 0 | 0 | 113 | S113 G114 D133 N137 L155 H157 | S113-S135 CarbonylContact C-O 3.5Å; S113-S135 WeakPolarHBondContact CA-O 3.45Å; S113-S135 WeakPolarHBondContact CB-O 3.43Å; S113-S135 WeakPolarHBondContact CB-OG 3.5Å; G114-S135 PolarHBondContact N-O 3.02Å; D133-S135 VanDerWaalsContact OD1-CB 3.28Å; D133-S135 WeakPolarHBondContact OD1-CB 3.38Å; D133-S135 PolarHBondContact OD1-N 3.08Å; D133-S135 PolarHBondContact OD1-OG 2.64Å; S135-N137 PolarHBondContact O-N 3.22Å; S135-N137 PolarHBondContact O-ND2 3.39Å; S135-L155 PolarHBondContact N-O 3.1Å; S135-H157 CarbonylContact C-O 3.34Å; S135-H157 WeakPolarHBondContact CA-O 3.46Å; S135-H157 WeakPolarHBondContact CB-CE1 3.46Å; S135-H157 WeakPolarHBondContact CB-NE2 3.49Å; S135-H157 WeakPolarHBondContact CB-O 3.35Å | ||
| 136 | D | 98.3 | Very high | 97.1 | Very high | 96 Ų | 96 | 41.3 Ų | 41.3 | 51% | 0.513 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 49.7 | 59 | 179.4 | -163.5 | 41.6 | 0 | 0 | 0 | 112.8 | G114 N115 H157 C158 | G114-D136 CarbonylContact C-O 3.47Å; G114-D136 WeakPolarHBondContact CA-O 3.27Å; G114-D136 PolarHBondContact N-O 3.39Å; G114-D136 VanDerWaalsContact N-O 3.13Å; N115-D136 PolarHBondContact N-O 3.26Å; D136-H157 PolarHBondContact N-O 3.35Å; D136-C158 VanDerWaalsContact CA-O 3.24Å; D136-C158 WeakPolarHBondContact CA-O 3.46Å; D136-C158 HydrophobicContact CB-CB 4.21Å; D136-C158 PolarHBondContact N-O 3.48Å |
| 137 | N | 98.6 | Very high | 97 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -137.8 | -169.6 | -179.8 | -88.7 | -85.6 | 0 | 0 | 0 | 109.2 | L112 N115 K116 L117 L134 S135 I139 C158 N159 | L112-N137 PolarHBondContact O-ND2 3.26Å; N115-N137 WeakPolarHBondContact CA-OD1 3.28Å; N115-N137 VanDerWaalsContact CB-OD1 3.28Å; N115-N137 WeakPolarHBondContact CB-OD1 3.5Å; N115-N137 PolarHBondContact O-OD1 3.03Å; K116-N137 PolarHBondContact N-OD1 3.39Å; L117-N137 HydrophobicContact CB-CB 4.37Å; L117-N137 VanDerWaalsContact CB-OD1 3.25Å; L117-N137 WeakPolarHBondContact CB-OD1 3.38Å; L117-N137 WeakPolarHBondContact CG-OD1 3.39Å; L117-N137 PolarHBondContact N-OD1 3.5Å; L134-N137 PolarHBondContact O-ND2 3.22Å; S135-N137 PolarHBondContact O-N 3.22Å; S135-N137 PolarHBondContact O-ND2 3.39Å; N137-I139 HydrophobicContact CB-CD1 4.35Å; N137-I139 HydrophobicContact CB-CG1 4.37Å; N137-C158 PolarHBondContact N-O 3.23Å; N137-C158 VanDerWaalsContact N-O 3.16Å; N137-N159 WeakPolarHBondContact CA-OD1 3.46Å; N137-N159 WeakPolarHBondContact CB-OD1 3.45Å; N137-N159 PolarHBondContact O-OD1 2.97Å |
| 138 | Y | 97.9 | Very high | 97 | Very high | 108 Ų | 108 | 40.8 Ų | 40.8 | 42% | 0.424 | 19% | 0.194 | S | C | . | . | trans | -115.6 | 28.4 | -178.6 | -53 | -54.2 | 0 | 0 | 0 | 112.7 | K116 L117 Y140 N159 H160 | K116-Y138 HydrophobicContact CB-CD2 4.21Å; K116-Y138 HydrophobicContact CB-CE2 4Å; K116-Y138 HydrophobicContact CG-CE2 4.01Å; L117-Y138 CarbonylContact O-C 3.59Å; L117-Y138 VanDerWaalsContact O-C 3.24Å; L117-Y138 VanDerWaalsContact O-CA 3.26Å; L117-Y138 WeakPolarHBondContact O-CA 3.41Å; L117-Y138 WeakPolarHBondContact O-CB 3.37Å; L117-Y138 PolarHBondContact O-N 2.96Å; Y138-Y140 PolarHBondContact O-N 3.47Å; Y138-N159 PolarHBondContact N-OD1 3.01Å; Y138-H160 AromaticContact CD1-NE2 3.59Å | ||
| 139 | I | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -68 | 125 | -178.4 | -61 | 161.7 | 0 | 0 | 0 | 109.3 | L117 K118 I120 L134 N137 E141 L156 N159 H160 I161 | L117-I139 HydrophobicContact CB-CG1 4.48Å; L117-I139 PolarHBondContact O-N 3.41Å; K118-I139 WeakPolarHBondContact O-CA 3.2Å; I120-I139 HydrophobicContact CD1-CD1 4.34Å; I120-I139 HydrophobicContact CD1-CG2 4.25Å; I120-I139 HydrophobicContact CG1-CD1 3.9Å; I120-I139 HydrophobicContact CG1-CG1 4.37Å; I120-I139 HydrophobicContact CG1-CG2 3.99Å; L134-I139 HydrophobicContact CB-CD1 3.79Å; L134-I139 HydrophobicContact CD1-CD1 4.1Å; L134-I139 HydrophobicContact CG-CD1 4.45Å; N137-I139 HydrophobicContact CB-CD1 4.35Å; N137-I139 HydrophobicContact CB-CG1 4.37Å; I139-E141 WeakPolarHBondContact CG2-O 3.44Å; I139-L156 HydrophobicContact CD1-CD2 3.88Å; I139-N159 HydrophobicContact CB-CB 4.37Å; I139-N159 VanDerWaalsContact CB-OD1 3.27Å; I139-N159 WeakPolarHBondContact CB-OD1 3.39Å; I139-N159 WeakPolarHBondContact CG1-OD1 3.2Å; I139-N159 PolarHBondContact N-OD1 3.42Å; I139-H160 CarbonylContact O-C 3.6Å; I139-H160 VanDerWaalsContact O-C 3.23Å; I139-H160 VanDerWaalsContact O-CA 3.29Å; I139-H160 WeakPolarHBondContact O-CA 3.32Å; I139-H160 PolarHBondContact O-N 3.25Å; I139-I161 HydrophobicContact CG2-CG1 4.31Å; I139-I161 PolarHBondContact O-N 3.3Å; I139-I161 VanDerWaalsContact O-N 3.15Å | ||
| 140 | Y | 96.3 | Very high | 96.9 | Very high | 117 Ų | 117 | 48 Ų | 48 | 46% | 0.459 | 23% | 0.231 | S | C | . | . | trans | -107.2 | -12.1 | -174.1 | 59.7 | -96.2 | 0 | 0 | 0 | 114.7 | K118 V119 Y138 | K118-Y140 HydrophobicContact CB-CD1 4.44Å; K118-Y140 HydrophobicContact CB-CE1 4.21Å; K118-Y140 WeakPolarHBondContact O-CD1 3.18Å; K118-Y140 WeakPolarHBondContact O-CE1 3.36Å; V119-Y140 HydrophobicContact CG2-CE1 3.79Å; V119-Y140 WeakPolarHBondContact CG2-OH 3.32Å; Y138-Y140 PolarHBondContact O-N 3.47Å | ||
| 141 | E | 94.8 | Very high | 96.9 | Very high | 88 Ų | 88 | 43.4 Ų | 43.4 | 41% | 0.411 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -144 | 146.5 | -176.7 | -175.5 | 174.4 | 175.8 | 0 | 0 | 110.6 | I139 Q143 | I139-E141 WeakPolarHBondContact CG2-O 3.44Å; E141-Q143 PolarHBondContact O-N 3.38Å |
| 142 | L | 93.8 | Very high | 96.9 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | trans | -78.5 | 101.6 | 169.8 | -69.9 | 175 | 0 | 0 | 0 | 109.9 | L156 I161 L164 N170 L171 | L142-L156 HydrophobicContact CD2-CD1 3.58Å; L142-I161 HydrophobicContact CD2-CD1 3.83Å; L142-I161 HydrophobicContact CG-CD1 4.4Å; L142-I161 HydrophobicContact CG-CG2 4.17Å; L142-L164 HydrophobicContact CD1-CD2 3.81Å; L142-N170 PolarHBondContact O-ND2 3.12Å; L142-L171 HydrophobicContact CD1-CD1 4.45Å; L142-L171 HydrophobicContact CD2-CD2 4.45Å | ||
| 143 | Q | 93.5 | Very high | 96.9 | Very high | 84 Ų | 84 | 46.3 Ų | 46.3 | 39% | 0.393 | 23% | 0.225 | S | C | . | . | trans | -65.1 | 157.8 | 170.7 | -164.6 | 61.7 | 37.1 | 0 | 0 | 111.2 | I120 E141 L145 | I120-Q143 HydrophobicContact CB-CB 3.98Å; I120-Q143 WeakPolarHBondContact O-CG 3.18Å; E141-Q143 PolarHBondContact O-N 3.38Å; Q143-L145 PolarHBondContact O-N 3.11Å | ||
| 144 | D | 94.5 | Very high | 96.9 | Very high | 46 Ų | 46 | 45.7 Ų | 45.7 | 25% | 0.246 | 22% | 0.222 | C | C | . | . | trans | -61.1 | 115.9 | 170.4 | -160.9 | -16.2 | 0 | 0 | 0 | 111.2 | S146 H147 N170 | D144-S146 WeakPolarHBondContact OD1-CB 3.36Å; D144-S146 PolarHBondContact OD1-N 3.43Å; D144-S146 PolarHBondContact OD1-OG 3.45Å; D144-H147 PolarHBondContact O-CE1 3.28Å; D144-N170 PolarHBondContact N-ND2 3.11Å | ||
| 145 | L | 97 | Very high | 96.9 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | trans | -122.5 | 13.2 | 175.6 | -60.4 | 179.1 | 0 | 0 | 0 | 111 | I120 L123 L132 Q143 H147 L148 L154 N170 | I120-L145 HydrophobicContact CD1-CD1 4.27Å; I120-L145 HydrophobicContact CG2-CD2 3.91Å; L123-L145 HydrophobicContact CD1-CD2 3.93Å; L132-L145 HydrophobicContact CD2-CD1 4.42Å; Q143-L145 PolarHBondContact O-N 3.11Å; L145-H147 PolarHBondContact O-N 3.02Å; L145-H147 VanDerWaalsContact O-N 3.17Å; L145-L148 HydrophobicContact CB-CD1 4.17Å; L145-L148 HydrophobicContact CD2-CD1 3.91Å; L145-L148 HydrophobicContact CG-CD1 4.49Å; L145-L148 WeakPolarHBondContact O-CB 3.42Å; L145-L148 PolarHBondContact O-N 3.3Å; L145-L154 HydrophobicContact CD1-CD1 4.41Å; L145-L154 HydrophobicContact CD1-CD2 4.03Å; L145-N170 CarbonylContact C-O 3.59Å; L145-N170 WeakPolarHBondContact CA-O 3.4Å; L145-N170 WeakPolarHBondContact CB-O 3.4Å; L145-N170 PolarHBondContact N-O 3.48Å | ||
| 146 | S | 95 | Very high | 96.9 | Very high | 52 Ų | 52 | 47 Ų | 47 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -22.5 | -174.4 | 63 | 0 | 0 | 0 | 0 | 113.8 | D144 L148 R169 N170 | D144-S146 WeakPolarHBondContact OD1-CB 3.36Å; D144-S146 PolarHBondContact OD1-N 3.43Å; D144-S146 PolarHBondContact OD1-OG 3.45Å; S146-L148 VanDerWaalsContact C-N 3.32Å; S146-R169 WeakPolarHBondContact CB-O 3.5Å; S146-N170 PolarHBondContact N-O 3.03Å |
| 147 | H | 94.8 | Very high | 96.9 | Very high | 50 Ų | 50 | 45.1 Ų | 45.1 | 23% | 0.231 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -14.9 | 174 | 61.5 | -76.1 | 0 | 0 | 0 | 114.1 | L123 D124 D144 L145 T149 | L123-H147 PolarHBondContact O-NE2 2.89Å; D124-H147 WeakPolarHBondContact CA-NE2 3.46Å; D124-H147 PolarHBondContact O-CD2 3.25Å; D144-H147 PolarHBondContact O-CE1 3.28Å; L145-H147 PolarHBondContact O-N 3.02Å; L145-H147 VanDerWaalsContact O-N 3.17Å; H147-T149 PolarHBondContact O-N 3.48Å |
| 148 | L | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -80.1 | 62.5 | 176.2 | -58.2 | -177 | 0 | 0 | 0 | 110.6 | L123 N126 L129 L132 L145 S146 K150 L151 P172 | L123-L148 HydrophobicContact CB-CD1 4.5Å; L123-L148 HydrophobicContact CD1-CD1 4.26Å; N126-L148 WeakPolarHBondContact O-CD2 3.2Å; L129-L148 HydrophobicContact CD2-CD1 4.27Å; L132-L148 HydrophobicContact CD2-CD1 4.4Å; L145-L148 HydrophobicContact CB-CD1 4.17Å; L145-L148 HydrophobicContact CD2-CD1 3.91Å; L145-L148 HydrophobicContact CG-CD1 4.49Å; L145-L148 WeakPolarHBondContact O-CB 3.42Å; L145-L148 PolarHBondContact O-N 3.3Å; S146-L148 VanDerWaalsContact C-N 3.32Å; L148-K150 PolarHBondContact O-N 3.14Å; L148-L151 HydrophobicContact CB-CB 3.93Å; L148-L151 HydrophobicContact CB-CD2 4.41Å; L148-L151 HydrophobicContact CD1-CD2 4.17Å; L148-L151 WeakPolarHBondContact O-CB 3.47Å; L148-L151 PolarHBondContact O-N 3.42Å; L148-P172 WeakPolarHBondContact O-CB 3.37Å | ||
| 149 | T | 96.1 | Very high | 96.9 | Very high | 95 Ų | 95 | 42.3 Ų | 42.3 | 58% | 0.583 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -7.8 | -169.1 | 58.7 | 0 | 0 | 0 | 0 | 115.6 | H147 S174 | H147-T149 PolarHBondContact O-N 3.48Å; T149-S174 VanDerWaalsContact O-CB 3.28Å; T149-S174 WeakPolarHBondContact O-CB 3.16Å; T149-S174 PolarHBondContact O-OG 2.93Å |
| 150 | K | 98 | Very high | 96.9 | Very high | 102 Ų | 102 | 46.8 Ų | 46.8 | 44% | 0.443 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 0.9 | 173.3 | -60 | -168.9 | -171.4 | 171.8 | 0 | 113.4 | N128 L129 K130 L148 K152 | N128-K150 PolarHBondContact OD1-NZ 3.28Å; L129-K150 CarbonylContact O-C 3.39Å; L129-K150 VanDerWaalsContact O-C 3.27Å; K130-K150 WeakPolarHBondContact CA-O 3.4Å; L148-K150 PolarHBondContact O-N 3.14Å; K150-K152 PolarHBondContact O-N 2.96Å |
| 151 | L | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -71.4 | 114.8 | -176.1 | -169.5 | 73.4 | 0 | 0 | 0 | 110.1 | L129 L132 L148 L154 P172 S174 L175 | L129-L151 HydrophobicContact CD2-CD1 4.19Å; L129-L151 HydrophobicContact CG-CD1 4.18Å; L129-L151 WeakPolarHBondContact O-CA 3.46Å; L129-L151 PolarHBondContact O-N 3.07Å; L129-L151 VanDerWaalsContact O-N 3.11Å; L132-L151 HydrophobicContact CB-CD1 3.72Å; L148-L151 HydrophobicContact CB-CB 3.93Å; L148-L151 HydrophobicContact CB-CD2 4.41Å; L148-L151 HydrophobicContact CD1-CD2 4.17Å; L148-L151 WeakPolarHBondContact O-CB 3.47Å; L148-L151 PolarHBondContact O-N 3.42Å; L151-L154 HydrophobicContact CD2-CB 4.23Å; L151-P172 HydrophobicContact CB-CG 3.94Å; L151-P172 HydrophobicContact CD2-CG 3.91Å; L151-P172 HydrophobicContact CG-CG 4.47Å; L151-S174 PolarHBondContact N-OG 2.97Å; L151-S174 CarbonylContact O-C 3.24Å; L151-S174 VanDerWaalsContact O-C 3.22Å; L151-S174 WeakPolarHBondContact O-CB 3.38Å; L151-S174 PolarHBondContact O-OG 3.25Å; L151-L175 HydrophobicContact CD2-CD1 4.11Å; L151-L175 HydrophobicContact CG-CD1 4.1Å; L151-L175 WeakPolarHBondContact O-CA 3.35Å; L151-L175 PolarHBondContact O-N 3.03Å | ||
| 152 | K | 98.3 | Very high | 96.9 | Very high | 81 Ų | 81 | 40 Ų | 40 | 35% | 0.352 | 21% | 0.212 | S | C | . | . | trans | -96.6 | -39.3 | 176.3 | -68.5 | -175.5 | 167.4 | -129.8 | 0 | 111.7 | K130 K150 L175 E176 I177 | K130-K152 PolarHBondContact O-N 2.88Å; K150-K152 PolarHBondContact O-N 2.96Å; K152-L175 WeakPolarHBondContact O-CD1 3.38Å; K152-E176 HydrophobicContact CB-CB 4.41Å; K152-E176 HydrophobicContact CB-CG 4.37Å; K152-E176 WeakPolarHBondContact CD-OE1 3.16Å; K152-E176 WeakPolarHBondContact CE-OE1 3.2Å; K152-E176 HydrophobicContact CG-CG 4.37Å; K152-E176 IonicContact NZ-OE1 3.32Å; K152-E176 PolarHBondContact NZ-OE1 2.99Å; K152-E176 IonicContact NZ-OE2 3.62Å; K152-E176 PolarHBondContact O-N 3.42Å; K152-I177 PolarHBondContact O-N 3.02Å | ||
| 153 | T | 98.7 | Very high | 96.9 | Very high | 21 Ų | 21 | 41.3 Ų | 41.3 | 13% | 0.129 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124.7 | -174.9 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | K130 L132 L155 I177 | K130-T153 PolarHBondContact O-N 3.1Å; L132-T153 PolarHBondContact N-O 2.9Å; T153-L155 HydrophobicContact CG2-CD2 3.9Å; T153-L155 HydrophobicContact CG2-CG 3.98Å; T153-I177 HydrophobicContact CG2-CB 4.1Å; T153-I177 HydrophobicContact CG2-CG2 4.19Å |
| 154 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 109.9 | 173.7 | 179.4 | 56.7 | 0 | 0 | 0 | 110.3 | L132 L145 L151 L156 L171 L175 I177 L178 S179 | L132-L154 HydrophobicContact CB-CD1 4.1Å; L132-L154 HydrophobicContact CD2-CD1 3.89Å; L132-L154 HydrophobicContact CG-CD1 3.89Å; L132-L154 WeakPolarHBondContact O-CA 3.31Å; L145-L154 HydrophobicContact CD1-CD1 4.41Å; L145-L154 HydrophobicContact CD1-CD2 4.03Å; L151-L154 HydrophobicContact CD2-CB 4.23Å; L154-L156 HydrophobicContact CD1-CD1 4Å; L154-L156 HydrophobicContact CD1-CG 3.97Å; L154-L156 HydrophobicContact CD2-CD1 3.77Å; L154-L156 HydrophobicContact CG-CD1 3.75Å; L154-L156 HydrophobicContact CG-CG 4.04Å; L154-L171 HydrophobicContact CD2-CD2 3.72Å; L154-L175 HydrophobicContact CB-CD1 3.6Å; L154-L175 HydrophobicContact CB-CD2 4.22Å; L154-L175 HydrophobicContact CD2-CD2 4.47Å; L154-I177 PolarHBondContact N-O 3.25Å; L154-L178 HydrophobicContact CB-CD1 4.26Å; L154-L178 HydrophobicContact CD2-CD1 4.08Å; L154-L178 HydrophobicContact CG-CD1 4.14Å; L154-L178 WeakPolarHBondContact O-CA 3.28Å; L154-S179 PolarHBondContact O-N 3.21Å |
| 155 | L | 98.6 | Very high | 96.7 | Very high | 34 Ų | 34 | 40 Ų | 40 | 18% | 0.178 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 115.5 | 177.7 | -50.3 | -179 | 0 | 0 | 0 | 109.6 | L132 D133 L134 S135 T153 I177 | L132-L155 PolarHBondContact O-N 3.21Å; D133-L155 HydrophobicContact CB-CB 4.3Å; D133-L155 HydrophobicContact CB-CD1 4.21Å; L134-L155 CarbonylContact C-O 3.2Å; L134-L155 WeakPolarHBondContact CA-O 3.28Å; L134-L155 PolarHBondContact N-O 3.09Å; S135-L155 PolarHBondContact N-O 3.1Å; T153-L155 HydrophobicContact CG2-CD2 3.9Å; T153-L155 HydrophobicContact CG2-CG 3.98Å; L155-I177 HydrophobicContact CD2-CG2 4.39Å |
| 156 | L | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -129.5 | 17 | -178.5 | -75.3 | 166.6 | 0 | 0 | 0 | 111.7 | I120 L134 I139 L142 L154 N159 I161 S179 L180 N183 | I120-L156 HydrophobicContact CD1-CD2 4.01Å; L134-L156 HydrophobicContact CB-CD2 3.76Å; L134-L156 HydrophobicContact CD1-CD2 4.11Å; I139-L156 HydrophobicContact CD1-CD2 3.88Å; L142-L156 HydrophobicContact CD2-CD1 3.58Å; L154-L156 HydrophobicContact CD1-CD1 4Å; L154-L156 HydrophobicContact CD1-CG 3.97Å; L154-L156 HydrophobicContact CD2-CD1 3.77Å; L154-L156 HydrophobicContact CG-CD1 3.75Å; L154-L156 HydrophobicContact CG-CG 4.04Å; L156-N159 WeakPolarHBondContact O-CB 3.32Å; L156-N159 PolarHBondContact O-ND2 3.45Å; L156-N159 VanDerWaalsContact O-ND2 3.07Å; L156-I161 HydrophobicContact CB-CD1 4.06Å; L156-I161 HydrophobicContact CD1-CD1 4.01Å; L156-I161 HydrophobicContact CD2-CD1 4.28Å; L156-I161 HydrophobicContact CG-CD1 4.37Å; L156-S179 CarbonylContact C-O 3.47Å; L156-S179 VanDerWaalsContact CA-O 3.25Å; L156-S179 WeakPolarHBondContact CA-O 3.48Å; L156-S179 WeakPolarHBondContact CB-O 3.34Å; L156-S179 PolarHBondContact N-O 3.45Å; L156-L180 HydrophobicContact CB-CD2 3.89Å; L156-L180 HydrophobicContact CD1-CD2 4.17Å; L156-N183 PolarHBondContact O-ND2 2.92Å | ||
| 157 | H | 97.9 | Very high | 96 | Very high | 57 Ų | 57 | 39.8 Ų | 39.8 | 26% | 0.264 | 21% | 0.209 | S | C | . | . | trans | -66.5 | 156.1 | 178.6 | 62 | 84.3 | 0 | 0 | 0 | 112.2 | S135 D136 N159 S179 A181 | S135-H157 CarbonylContact C-O 3.34Å; S135-H157 WeakPolarHBondContact CA-O 3.46Å; S135-H157 WeakPolarHBondContact CB-CE1 3.46Å; S135-H157 WeakPolarHBondContact CB-NE2 3.49Å; S135-H157 WeakPolarHBondContact CB-O 3.35Å; D136-H157 PolarHBondContact N-O 3.35Å; H157-N159 PolarHBondContact O-ND2 3.08Å; H157-S179 PolarHBondContact CD2-OG 2.79Å; H157-S179 PolarHBondContact N-O 3.05Å; H157-S179 VanDerWaalsContact N-O 3.13Å; H157-A181 CarbonylContact C-O 3.58Å; H157-A181 WeakPolarHBondContact CA-O 3.22Å; H157-A181 HydrophobicContact CB-CB 4.15Å; H157-A181 WeakPolarHBondContact CB-O 3.17Å | ||
| 158 | C | 98.1 | Very high | 95.8 | Very high | 49 Ų | 49 | 39.9 Ų | 39.9 | 33% | 0.331 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 56.5 | 51.2 | -175.7 | -55.6 | 0 | 0 | 0 | 0 | 112.3 | D136 N137 A181 S182 | D136-C158 VanDerWaalsContact CA-O 3.24Å; D136-C158 WeakPolarHBondContact CA-O 3.46Å; D136-C158 HydrophobicContact CB-CB 4.21Å; D136-C158 PolarHBondContact N-O 3.48Å; N137-C158 PolarHBondContact N-O 3.23Å; N137-C158 VanDerWaalsContact N-O 3.16Å; C158-A181 PolarHBondContact N-O 3.14Å; C158-S182 VanDerWaalsContact CA-O 3.25Å; C158-S182 WeakPolarHBondContact CA-O 3.45Å; C158-S182 PolarHBondContact N-O 3.18Å |
| 159 | N | 98.5 | Very high | 95.6 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -124.4 | -162.7 | 174.4 | -87.3 | -80.6 | 0 | 0 | 0 | 110 | L134 N137 Y138 I139 L156 H157 S182 N183 | L134-N159 PolarHBondContact O-ND2 3.3Å; N137-N159 WeakPolarHBondContact CA-OD1 3.46Å; N137-N159 WeakPolarHBondContact CB-OD1 3.45Å; N137-N159 PolarHBondContact O-OD1 2.97Å; Y138-N159 PolarHBondContact N-OD1 3.01Å; I139-N159 HydrophobicContact CB-CB 4.37Å; I139-N159 VanDerWaalsContact CB-OD1 3.27Å; I139-N159 WeakPolarHBondContact CB-OD1 3.39Å; I139-N159 WeakPolarHBondContact CG1-OD1 3.2Å; I139-N159 PolarHBondContact N-OD1 3.42Å; L156-N159 WeakPolarHBondContact O-CB 3.32Å; L156-N159 PolarHBondContact O-ND2 3.45Å; L156-N159 VanDerWaalsContact O-ND2 3.07Å; H157-N159 PolarHBondContact O-ND2 3.08Å; N159-S182 PolarHBondContact N-O 3.42Å; N159-N183 WeakPolarHBondContact CA-OD1 3.29Å; N159-N183 WeakPolarHBondContact CB-OD1 3.45Å; N159-N183 PolarHBondContact O-OD1 3.35Å |
| 160 | H | 97.5 | Very high | 95.6 | Very high | 93 Ų | 93 | 44.1 Ų | 44.1 | 43% | 0.431 | 22% | 0.221 | S | C | . | . | trans | -120.7 | 20.5 | -177.5 | -64.5 | -11.8 | 0 | 0 | 0 | 112.8 | Y138 I139 S162 N183 | Y138-H160 AromaticContact CD1-NE2 3.59Å; I139-H160 CarbonylContact O-C 3.6Å; I139-H160 VanDerWaalsContact O-C 3.23Å; I139-H160 VanDerWaalsContact O-CA 3.29Å; I139-H160 WeakPolarHBondContact O-CA 3.32Å; I139-H160 PolarHBondContact O-N 3.25Å; H160-S162 PolarHBondContact O-N 2.9Å; H160-N183 PolarHBondContact N-OD1 3.22Å | ||
| 161 | I | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -63.4 | 120.4 | -178.8 | -61.3 | 166.7 | 0 | 0 | 0 | 108.5 | I139 L142 L156 L164 L180 N183 M184 V185 | I139-I161 HydrophobicContact CG2-CG1 4.31Å; I139-I161 PolarHBondContact O-N 3.3Å; I139-I161 VanDerWaalsContact O-N 3.15Å; L142-I161 HydrophobicContact CD2-CD1 3.83Å; L142-I161 HydrophobicContact CG-CD1 4.4Å; L142-I161 HydrophobicContact CG-CG2 4.17Å; L156-I161 HydrophobicContact CB-CD1 4.06Å; L156-I161 HydrophobicContact CD1-CD1 4.01Å; L156-I161 HydrophobicContact CD2-CD1 4.28Å; L156-I161 HydrophobicContact CG-CD1 4.37Å; I161-L164 HydrophobicContact CG2-CD2 4.14Å; I161-L180 HydrophobicContact CD1-CD2 3.7Å; I161-N183 HydrophobicContact CB-CB 4.41Å; I161-N183 WeakPolarHBondContact CB-OD1 3.44Å; I161-N183 PolarHBondContact N-OD1 3.07Å; I161-M184 CarbonylContact O-C 3.27Å; I161-M184 VanDerWaalsContact O-C 3.3Å; I161-M184 WeakPolarHBondContact O-CA 3.44Å; I161-M184 PolarHBondContact O-N 3.14Å; I161-V185 PolarHBondContact O-N 3.35Å | ||
| 162 | S | 95.1 | Very high | 95.4 | Very high | 63 Ų | 63 | 39.7 Ų | 39.7 | 44% | 0.441 | 20% | 0.202 | S | C | . | . | trans | -106.1 | -16.4 | -173.7 | 57.3 | 0 | 0 | 0 | 0 | 114.7 | H160 | H160-S162 PolarHBondContact O-N 2.9Š| ||
| 163 | S | 93.4 | Very high | 95.2 | Very high | 33 Ų | 33 | 42.8 Ų | 42.8 | 23% | 0.231 | 22% | 0.215 | C | C | . | . | trans | -145.2 | 150.3 | -179.8 | 179.9 | 0 | 0 | 0 | 0 | 111.9 | H165 E190 | S163-H165 PolarHBondContact OG-CD2 2.93Å; S163-H165 PolarHBondContact OG-N 2.85Å; S163-E190 WeakPolarHBondContact CA-OE2 3.45Å; S163-E190 VanDerWaalsContact CB-OE2 3.31Å; S163-E190 WeakPolarHBondContact CB-OE2 3.15Å; S163-E190 PolarHBondContact OG-OE2 3.07Å | ||
| 164 | L | 93.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -113.6 | 12.9 | 176 | -47 | 177.4 | 0 | 0 | 0 | 112.1 | L142 I161 N166 G167 L180 V185 E190 E193 L194 | L142-L164 HydrophobicContact CD1-CD2 3.81Å; I161-L164 HydrophobicContact CG2-CD2 4.14Å; L164-N166 PolarHBondContact O-N 2.73Å; L164-G167 PolarHBondContact O-N 3.42Å; L164-L180 HydrophobicContact CD1-CD1 4.21Å; L164-L180 HydrophobicContact CD2-CD1 3.59Å; L164-V185 HydrophobicContact CD1-CG1 4.17Å; L164-V185 HydrophobicContact CD1-CG2 4.44Å; L164-V185 HydrophobicContact CD2-CG2 3.99Å; L164-V185 HydrophobicContact CG-CG1 4.17Å; L164-V185 HydrophobicContact CG-CG2 4.14Å; L164-E190 HydrophobicContact CB-CB 3.96Å; L164-E190 PolarHBondContact N-OE2 3.44Å; L164-E193 WeakPolarHBondContact O-CB 3.38Å; L164-L194 HydrophobicContact CD1-CD1 4.24Å | ||
| 165 | H | 89.6 | Confident | 95.1 | Very high | 104 Ų | 104 | 42.7 Ų | 42.7 | 48% | 0.481 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -26.6 | -173.8 | 74.4 | 67.5 | 0 | 0 | 0 | 114.5 | S163 | S163-H165 PolarHBondContact OG-CD2 2.93Å; S163-H165 PolarHBondContact OG-N 2.85Å |
| 166 | N | 88.1 | Confident | 95.1 | Very high | 49 Ų | 49 | 43.3 Ų | 43.3 | 26% | 0.262 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -1 | 176.9 | -82.5 | -15.1 | 0 | 0 | 0 | 113.1 | L164 S168 R169 N170 | L164-N166 PolarHBondContact O-N 2.73Å; N166-S168 PolarHBondContact O-N 3.35Å; N166-S168 VanDerWaalsContact O-N 3.13Å; N166-R169 PolarHBondContact O-N 2.87Å; N166-N170 HydrophobicContact CB-CB 4.39Å; N166-N170 WeakPolarHBondContact O-CB 3.4Å; N166-N170 PolarHBondContact O-N 3.48Å |
| 167 | G | 90.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.2 | -35.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L164 R169 L171 | L164-G167 PolarHBondContact O-N 3.42Å; G167-R169 VanDerWaalsContact C-N 3.28Å; G167-R169 PolarHBondContact O-N 3.48Å; G167-L171 WeakPolarHBondContact O-CB 3.29Å; G167-L171 PolarHBondContact O-N 3.36Å |
| 168 | S | 90.1 | Very high | 95.1 | Very high | 52 Ų | 52 | 42.6 Ų | 42.6 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.7 | -24 | 178.9 | 52.5 | 0 | 0 | 0 | 0 | 114.8 | N166 E193 C196 | N166-S168 PolarHBondContact O-N 3.35Å; N166-S168 VanDerWaalsContact O-N 3.13Å; S168-E193 WeakPolarHBondContact CA-O 3.35Å; S168-E193 VanDerWaalsContact CB-O 3.29Å; S168-E193 WeakPolarHBondContact CB-O 3.11Å; S168-E193 WeakPolarHBondContact CB-OE2 3.3Å; S168-E193 PolarHBondContact N-O 2.8Å; S168-E193 PolarHBondContact OG-OE2 2.67Å; S168-C196 WeakPolarHBondContact CA-SG 3.49Å |
| 169 | R | 92.5 | Very high | 95.1 | Very high | 175 Ų | 175 | 40.9 Ų | 40.9 | 66% | 0.66 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -98.1 | -43.5 | 176.1 | 178 | -177.9 | 170 | 175.5 | -2.7 | 112.1 | S146 N166 G167 | S146-R169 WeakPolarHBondContact CB-O 3.5Å; N166-R169 PolarHBondContact O-N 2.87Å; G167-R169 VanDerWaalsContact C-N 3.28Å; G167-R169 PolarHBondContact O-N 3.48Å |
| 170 | N | 95.5 | Very high | 95 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 5% | 0.053 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -91.2 | -15.9 | -162.9 | -72.6 | 16 | 0 | 0 | 0 | 113.4 | L142 D144 L145 S146 N166 | L142-N170 PolarHBondContact O-ND2 3.12Å; D144-N170 PolarHBondContact N-ND2 3.11Å; L145-N170 CarbonylContact C-O 3.59Å; L145-N170 WeakPolarHBondContact CA-O 3.4Å; L145-N170 WeakPolarHBondContact CB-O 3.4Å; L145-N170 PolarHBondContact N-O 3.48Å; S146-N170 PolarHBondContact N-O 3.03Å; N166-N170 HydrophobicContact CB-CB 4.39Å; N166-N170 WeakPolarHBondContact O-CB 3.4Å; N166-N170 PolarHBondContact O-N 3.48Å |
| 171 | L | 96.9 | Very high | 95 | Very high | 6 Ų | 6 | 37.2 Ų | 37.2 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -96.8 | 138 | 178.6 | -63.8 | 173.1 | 0 | 0 | 0 | 111.6 | L142 L154 G167 L178 L194 L197 | L142-L171 HydrophobicContact CD1-CD1 4.45Å; L142-L171 HydrophobicContact CD2-CD2 4.45Å; L154-L171 HydrophobicContact CD2-CD2 3.72Å; G167-L171 WeakPolarHBondContact O-CB 3.29Å; G167-L171 PolarHBondContact O-N 3.36Å; L171-L178 HydrophobicContact CD1-CD2 4.05Å; L171-L194 HydrophobicContact CD1-CD2 3.53Å; L171-L197 HydrophobicContact CB-CD1 4.37Å; L171-L197 HydrophobicContact CB-CD2 4Å; L171-L197 HydrophobicContact CD1-CD1 4.03Å |
| 172 | P | 96.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.013 | 20% | 0.204 | C | C | . | . | trans | -72.6 | 141.6 | 179.2 | 29.1 | -33 | 0 | 0 | 0 | 111.4 | L148 L151 S174 L175 | L148-P172 WeakPolarHBondContact O-CB 3.37Å; L151-P172 HydrophobicContact CB-CG 3.94Å; L151-P172 HydrophobicContact CD2-CG 3.91Å; L151-P172 HydrophobicContact CG-CG 4.47Å; P172-S174 PolarHBondContact O-N 3.47Å; P172-L175 VanDerWaalsContact O-CB 3.3Å; P172-L175 WeakPolarHBondContact O-CB 3.45Å; P172-L175 PolarHBondContact O-N 2.68Å | ||
| 173 | K | 95.2 | Very high | 95.1 | Very high | 146 Ų | 146 | 36.3 Ų | 36.3 | 64% | 0.635 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -14.4 | -176.1 | -65 | -179.6 | -179.5 | 177.2 | 0 | 114.7 | L175 | K173-L175 PolarHBondContact O-N 3.12Š|
| 174 | S | 96.5 | Very high | 95.2 | Very high | 20 Ų | 20 | 39.5 Ų | 39.5 | 14% | 0.14 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -6 | 174.9 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | T149 L151 P172 E176 | T149-S174 VanDerWaalsContact O-CB 3.28Å; T149-S174 WeakPolarHBondContact O-CB 3.16Å; T149-S174 PolarHBondContact O-OG 2.93Å; L151-S174 PolarHBondContact N-OG 2.97Å; L151-S174 CarbonylContact O-C 3.24Å; L151-S174 VanDerWaalsContact O-C 3.22Å; L151-S174 WeakPolarHBondContact O-CB 3.38Å; L151-S174 PolarHBondContact O-OG 3.25Å; P172-S174 PolarHBondContact O-N 3.47Å; S174-E176 PolarHBondContact O-N 3.31Å |
| 175 | L | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -70.4 | 120 | -170.3 | -161.1 | 72.2 | 0 | 0 | 0 | 111.7 | L151 K152 L154 P172 K173 L178 M199 L200 | L151-L175 HydrophobicContact CD2-CD1 4.11Å; L151-L175 HydrophobicContact CG-CD1 4.1Å; L151-L175 WeakPolarHBondContact O-CA 3.35Å; L151-L175 PolarHBondContact O-N 3.03Å; K152-L175 WeakPolarHBondContact O-CD1 3.38Å; L154-L175 HydrophobicContact CB-CD1 3.6Å; L154-L175 HydrophobicContact CB-CD2 4.22Å; L154-L175 HydrophobicContact CD2-CD2 4.47Å; P172-L175 VanDerWaalsContact O-CB 3.3Å; P172-L175 WeakPolarHBondContact O-CB 3.45Å; P172-L175 PolarHBondContact O-N 2.68Å; K173-L175 PolarHBondContact O-N 3.12Å; L175-L178 HydrophobicContact CD2-CB 3.81Å; L175-L178 HydrophobicContact CD2-CD1 4.08Å; L175-L178 HydrophobicContact CD2-CD2 4.3Å; L175-L178 HydrophobicContact CD2-CG 4.27Å; L175-M199 CarbonylContact O-C 3.22Å; L175-M199 VanDerWaalsContact O-C 3.29Å; L175-L200 VanDerWaalsContact O-CA 3.3Å; L175-L200 WeakPolarHBondContact O-CA 3.28Å; L175-L200 PolarHBondContact O-N 3.4Å | ||
| 176 | E | 98 | Very high | 95.3 | Very high | 46 Ų | 46 | 38.3 Ų | 38.3 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | trans | -98.9 | -34.2 | 179.9 | -67.4 | 172.4 | -167.3 | 0 | 0 | 111.9 | K152 S174 M199 T201 Q202 | K152-E176 HydrophobicContact CB-CB 4.41Å; K152-E176 HydrophobicContact CB-CG 4.37Å; K152-E176 WeakPolarHBondContact CD-OE1 3.16Å; K152-E176 WeakPolarHBondContact CE-OE1 3.2Å; K152-E176 HydrophobicContact CG-CG 4.37Å; K152-E176 IonicContact NZ-OE1 3.32Å; K152-E176 PolarHBondContact NZ-OE1 2.99Å; K152-E176 IonicContact NZ-OE2 3.62Å; K152-E176 PolarHBondContact O-N 3.42Å; S174-E176 PolarHBondContact O-N 3.31Å; E176-M199 WeakPolarHBondContact CA-O 3.49Å; E176-M199 HydrophobicContact CG-CB 4.28Å; E176-T201 PolarHBondContact O-N 2.82Å; E176-T201 PolarHBondContact O-OG1 3.12Å; E176-Q202 PolarHBondContact O-N 3.26Å | ||
| 177 | I | 98.4 | Very high | 95.4 | Very high | 42 Ų | 42 | 38.2 Ų | 38.2 | 22% | 0.215 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 119.8 | -176.5 | -51.6 | -175.3 | 0 | 0 | 0 | 109.7 | K152 T153 L154 L155 Q202 | K152-I177 PolarHBondContact O-N 3.02Å; T153-I177 HydrophobicContact CG2-CB 4.1Å; T153-I177 HydrophobicContact CG2-CG2 4.19Å; L154-I177 PolarHBondContact N-O 3.25Å; L155-I177 HydrophobicContact CD2-CG2 4.39Å; I177-Q202 WeakPolarHBondContact CA-O 3.46Å; I177-Q202 HydrophobicContact CB-CB 4.42Å; I177-Q202 HydrophobicContact CG1-CB 4.15Å; I177-Q202 HydrophobicContact CG2-CB 4.15Å; I177-Q202 HydrophobicContact CG2-CG 4.08Å |
| 178 | L | 98.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 123.3 | 174.7 | 177 | 59.3 | 0 | 0 | 0 | 110.8 | L154 L171 L175 L180 L194 L200 Q202 F203 S204 | L154-L178 HydrophobicContact CB-CD1 4.26Å; L154-L178 HydrophobicContact CD2-CD1 4.08Å; L154-L178 HydrophobicContact CG-CD1 4.14Å; L154-L178 WeakPolarHBondContact O-CA 3.28Å; L171-L178 HydrophobicContact CD1-CD2 4.05Å; L175-L178 HydrophobicContact CD2-CB 3.81Å; L175-L178 HydrophobicContact CD2-CD1 4.08Å; L175-L178 HydrophobicContact CD2-CD2 4.3Å; L175-L178 HydrophobicContact CD2-CG 4.27Å; L178-L180 HydrophobicContact CD1-CD1 4.48Å; L178-L180 HydrophobicContact CD1-CG 4.13Å; L178-L180 HydrophobicContact CD2-CD1 4.08Å; L178-L180 HydrophobicContact CG-CD1 4.31Å; L178-L180 HydrophobicContact CG-CG 4.2Å; L178-L194 HydrophobicContact CD2-CD1 4.17Å; L178-L194 HydrophobicContact CD2-CD2 4.33Å; L178-L200 HydrophobicContact CB-CD1 3.7Å; L178-Q202 PolarHBondContact N-O 3.37Å; L178-F203 HydrophobicContact CB-CD2 4.06Å; L178-F203 HydrophobicContact CD2-CD2 4.07Å; L178-F203 HydrophobicContact CD2-CE2 3.83Å; L178-F203 HydrophobicContact CG-CD2 4.03Å; L178-F203 HydrophobicContact CG-CE2 4.05Å; L178-F203 CarbonylContact O-C 3.3Å; L178-F203 VanDerWaalsContact O-CA 3.28Å; L178-F203 WeakPolarHBondContact O-CA 3.39Å; L178-F203 WeakPolarHBondContact O-CD2 3.34Å; L178-S204 PolarHBondContact O-N 2.8Å |
| 179 | S | 98 | Very high | 95.4 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 8% | 0.084 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 114.2 | 174.2 | -166.9 | 0 | 0 | 0 | 0 | 111.4 | L154 L156 H157 | L154-S179 PolarHBondContact O-N 3.21Å; L156-S179 CarbonylContact C-O 3.47Å; L156-S179 VanDerWaalsContact CA-O 3.25Å; L156-S179 WeakPolarHBondContact CA-O 3.48Å; L156-S179 WeakPolarHBondContact CB-O 3.34Å; L156-S179 PolarHBondContact N-O 3.45Å; H157-S179 PolarHBondContact CD2-OG 2.79Å; H157-S179 PolarHBondContact N-O 3.05Å; H157-S179 VanDerWaalsContact N-O 3.13Å |
| 180 | L | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -117.7 | 14.4 | 175 | -71.1 | 172.2 | 0 | 0 | 0 | 112.1 | L156 I161 L164 L178 N183 F203 S204 N208 | L156-L180 HydrophobicContact CB-CD2 3.89Å; L156-L180 HydrophobicContact CD1-CD2 4.17Å; I161-L180 HydrophobicContact CD1-CD2 3.7Å; L164-L180 HydrophobicContact CD1-CD1 4.21Å; L164-L180 HydrophobicContact CD2-CD1 3.59Å; L178-L180 HydrophobicContact CD1-CD1 4.48Å; L178-L180 HydrophobicContact CD1-CG 4.13Å; L178-L180 HydrophobicContact CD2-CD1 4.08Å; L178-L180 HydrophobicContact CG-CD1 4.31Å; L178-L180 HydrophobicContact CG-CG 4.2Å; L180-N183 WeakPolarHBondContact O-CB 3.25Å; L180-N183 PolarHBondContact O-ND2 2.64Å; L180-F203 HydrophobicContact CD1-CE2 4.09Å; L180-S204 CarbonylContact C-O 3.4Å; L180-S204 WeakPolarHBondContact CA-O 3.22Å; L180-S204 PolarHBondContact N-O 3.36Å; L180-N208 PolarHBondContact O-ND2 2.82Å | ||
| 181 | A | 96.7 | Very high | 95.2 | Very high | 20 Ų | 20 | 30 Ų | 30 | 17% | 0.165 | 16% | 0.163 | C | C | . | . | trans | -59.6 | 151.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | H157 C158 N183 S204 G206 | H157-A181 CarbonylContact C-O 3.58Å; H157-A181 WeakPolarHBondContact CA-O 3.22Å; H157-A181 HydrophobicContact CB-CB 4.15Å; H157-A181 WeakPolarHBondContact CB-O 3.17Å; C158-A181 PolarHBondContact N-O 3.14Å; A181-N183 PolarHBondContact O-N 3.23Å; A181-N183 PolarHBondContact O-ND2 3.24Å; A181-S204 PolarHBondContact N-O 3.37Å; A181-G206 CarbonylContact C-O 3.23Å; A181-G206 WeakPolarHBondContact CA-O 3.28Å; A181-G206 WeakPolarHBondContact CB-O 3.38Å | ||
| 182 | S | 97 | Very high | 94.9 | Very high | 40 Ų | 40 | 32.3 Ų | 32.3 | 28% | 0.28 | 17% | 0.174 | S | C | . | . | S | Bend | trans | 52 | 50.4 | -177.4 | -58.5 | 0 | 0 | 0 | 0 | 112.9 | C158 N159 G206 N207 | C158-S182 VanDerWaalsContact CA-O 3.25Å; C158-S182 WeakPolarHBondContact CA-O 3.45Å; C158-S182 PolarHBondContact N-O 3.18Å; N159-S182 PolarHBondContact N-O 3.42Å; S182-G206 PolarHBondContact N-O 2.76Å; S182-N207 WeakPolarHBondContact CA-O 3.33Å; S182-N207 PolarHBondContact OG-ND2 2.92Å |
| 183 | N | 97.3 | Very high | 94.7 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -115.4 | -168.5 | 170.5 | -87.3 | -86.3 | 0 | 0 | 0 | 110 | L156 N159 H160 I161 L180 A181 N208 | L156-N183 PolarHBondContact O-ND2 2.92Å; N159-N183 WeakPolarHBondContact CA-OD1 3.29Å; N159-N183 WeakPolarHBondContact CB-OD1 3.45Å; N159-N183 PolarHBondContact O-OD1 3.35Å; H160-N183 PolarHBondContact N-OD1 3.22Å; I161-N183 HydrophobicContact CB-CB 4.41Å; I161-N183 WeakPolarHBondContact CB-OD1 3.44Å; I161-N183 PolarHBondContact N-OD1 3.07Å; L180-N183 WeakPolarHBondContact O-CB 3.25Å; L180-N183 PolarHBondContact O-ND2 2.64Å; A181-N183 PolarHBondContact O-N 3.23Å; A181-N183 PolarHBondContact O-ND2 3.24Å; N183-N208 VanDerWaalsContact CA-OD1 3.3Å; N183-N208 WeakPolarHBondContact CA-OD1 3.4Å; N183-N208 WeakPolarHBondContact CB-OD1 3.14Å; N183-N208 PolarHBondContact N-ND2 2.85Å; N183-N208 PolarHBondContact N-OD1 2.96Å; N183-N208 PolarHBondContact O-OD1 3.02Å; N183-N208 VanDerWaalsContact O-OD1 3.11Å |
| 184 | M | 96.1 | Very high | 94.6 | Very high | 101 Ų | 101 | 27.2 Ų | 27.2 | 50% | 0.498 | 15% | 0.152 | S | C | . | . | trans | -107.7 | 19.6 | -176 | -60.8 | -57.8 | -58.3 | 0 | 0 | 112.9 | I161 S186 N208 | I161-M184 CarbonylContact O-C 3.27Å; I161-M184 VanDerWaalsContact O-C 3.3Å; I161-M184 WeakPolarHBondContact O-CA 3.44Å; I161-M184 PolarHBondContact O-N 3.14Å; M184-S186 PolarHBondContact O-N 3.4Å; M184-S186 VanDerWaalsContact O-N 3.08Å; M184-N208 PolarHBondContact N-OD1 2.99Å | ||
| 185 | V | 95 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -63.7 | 113.1 | -177.6 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | I161 L164 N208 P209 C210 | I161-V185 PolarHBondContact O-N 3.35Å; L164-V185 HydrophobicContact CD1-CG1 4.17Å; L164-V185 HydrophobicContact CD1-CG2 4.44Å; L164-V185 HydrophobicContact CD2-CG2 3.99Å; L164-V185 HydrophobicContact CG-CG1 4.17Å; L164-V185 HydrophobicContact CG-CG2 4.14Å; V185-N208 HydrophobicContact CB-CB 4.27Å; V185-N208 VanDerWaalsContact CB-OD1 3.31Å; V185-N208 WeakPolarHBondContact CB-OD1 3.37Å; V185-N208 WeakPolarHBondContact CG2-OD1 3.37Å; V185-N208 PolarHBondContact N-OD1 3.1Å; V185-P209 WeakPolarHBondContact O-CD 3.32Å; V185-C210 VanDerWaalsContact O-CB 3.3Å; V185-C210 WeakPolarHBondContact O-CB 3.24Å; V185-C210 PolarHBondContact O-N 3.13Å; V185-C210 PolarHBondContact O-SG 2.99Å | ||
| 186 | S | 90.7 | Very high | 93.9 | Very high | 79 Ų | 79 | 31.5 Ų | 31.5 | 55% | 0.552 | 18% | 0.182 | S | C | * | . | trans | -96.9 | -22.7 | -172.8 | 58.9 | 0 | 0 | 0 | 0 | 114 | M184 | M184-S186 PolarHBondContact O-N 3.4Å; M184-S186 VanDerWaalsContact O-N 3.08Å | ||
| 187 | N | 90.4 | Very high | 93.8 | Very high | 46 Ų | 46 | 29.7 Ų | 29.7 | 25% | 0.246 | 17% | 0.173 | C | C | . | . | trans | -116.2 | 108.9 | -173 | 179.7 | 12.5 | 0 | 0 | 0 | 111.1 | L189 E190 | N187-L189 PolarHBondContact O-N 2.96Å; N187-L189 WeakPolarHBondContact OD1-CB 3.37Å; N187-L189 WeakPolarHBondContact OD1-CG 3.46Å; N187-L189 PolarHBondContact OD1-N 3.31Å; N187-L189 VanDerWaalsContact OD1-N 3.16Å; N187-E190 HydrophobicContact CB-CG 4.19Å; N187-E190 VanDerWaalsContact CB-OE1 3.29Å; N187-E190 WeakPolarHBondContact CB-OE1 3.14Å; N187-E190 WeakPolarHBondContact ND2-CG 3.32Å; N187-E190 PolarHBondContact ND2-OE1 2.96Å; N187-E190 PolarHBondContact O-N 3.4Å | ||
| 188 | I | 90.9 | Very high | 93.5 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -62.7 | -25.1 | -179.4 | -167.3 | 61.1 | 0 | 0 | 0 | 112.7 | E190 V191 L205 C210 F214 F221 V222 | I188-E190 PolarHBondContact O-N 3.16Å; I188-V191 HydrophobicContact CD1-CG2 4.04Å; I188-V191 WeakPolarHBondContact O-CB 3.35Å; I188-V191 WeakPolarHBondContact O-CG2 3.36Å; I188-V191 PolarHBondContact O-N 2.91Å; I188-L205 HydrophobicContact CD1-CD2 3.86Å; I188-C210 HydrophobicContact CB-CB 4.11Å; I188-C210 HydrophobicContact CD1-CB 4.49Å; I188-F214 HydrophobicContact CB-CD2 4.35Å; I188-F214 HydrophobicContact CG2-CD1 4.42Å; I188-F214 HydrophobicContact CG2-CD2 3.67Å; I188-F214 HydrophobicContact CG2-CE1 4.23Å; I188-F214 HydrophobicContact CG2-CE2 3.45Å; I188-F214 VanDerWaalsContact CG2-CE2 3.45Å; I188-F214 HydrophobicContact CG2-CG 4.16Å; I188-F214 HydrophobicContact CG2-CZ 3.75Å; I188-F221 HydrophobicContact CD1-CD1 4.48Å; I188-F221 HydrophobicContact CG1-CD1 3.73Å; I188-F221 HydrophobicContact CG1-CE1 4.09Å; I188-F221 HydrophobicContact CG1-CG 4.4Å; I188-F221 VanDerWaalsContact O-CE1 3.32Å; I188-F221 WeakPolarHBondContact O-CE1 3.12Å; I188-V222 HydrophobicContact CD1-CG2 4.26Å |
| 189 | L | 89 | Confident | 93.3 | Very high | 31 Ų | 31 | 35.8 Ų | 35.8 | 16% | 0.162 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -64.9 | -25.8 | -177.4 | -55.9 | -174.1 | 0 | 0 | 0 | 112.5 | N187 V191 Q192 F221 W261 | N187-L189 PolarHBondContact O-N 2.96Å; N187-L189 WeakPolarHBondContact OD1-CB 3.37Å; N187-L189 WeakPolarHBondContact OD1-CG 3.46Å; N187-L189 PolarHBondContact OD1-N 3.31Å; N187-L189 VanDerWaalsContact OD1-N 3.16Å; L189-V191 PolarHBondContact O-N 3.38Å; L189-Q192 WeakPolarHBondContact O-CB 3.3Å; L189-Q192 WeakPolarHBondContact O-CG 3.4Å; L189-Q192 PolarHBondContact O-N 2.74Å; L189-F221 HydrophobicContact CD2-CE1 4.47Å; L189-F221 HydrophobicContact CD2-CE2 4.01Å; L189-F221 HydrophobicContact CD2-CZ 3.58Å; L189-W261 HydrophobicContact CD1-CE3 4.47Å; L189-W261 HydrophobicContact CD1-CZ3 3.94Å; L189-W261 HydrophobicContact CD2-CH2 3.66Å; L189-W261 HydrophobicContact CD2-CZ3 3.48Å; L189-W261 VanDerWaalsContact CD2-CZ3 3.48Å; L189-W261 HydrophobicContact CG-CZ3 4.39Å |
| 190 | E | 91.8 | Very high | 93.3 | Very high | 30 Ų | 30 | 35.3 Ų | 35.3 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -70.5 | -11.2 | -179.2 | -63.2 | 171.9 | -153.3 | 0 | 0 | 112.8 | S163 L164 N187 I188 Q192 E193 | S163-E190 WeakPolarHBondContact CA-OE2 3.45Å; S163-E190 VanDerWaalsContact CB-OE2 3.31Å; S163-E190 WeakPolarHBondContact CB-OE2 3.15Å; S163-E190 PolarHBondContact OG-OE2 3.07Å; L164-E190 HydrophobicContact CB-CB 3.96Å; L164-E190 PolarHBondContact N-OE2 3.44Å; N187-E190 HydrophobicContact CB-CG 4.19Å; N187-E190 VanDerWaalsContact CB-OE1 3.29Å; N187-E190 WeakPolarHBondContact CB-OE1 3.14Å; N187-E190 WeakPolarHBondContact ND2-CG 3.32Å; N187-E190 PolarHBondContact ND2-OE1 2.96Å; N187-E190 PolarHBondContact O-N 3.4Å; I188-E190 PolarHBondContact O-N 3.16Å; E190-Q192 PolarHBondContact O-N 2.75Å; E190-E193 WeakPolarHBondContact O-CB 3.45Å; E190-E193 PolarHBondContact O-N 2.83Å |
| 191 | V | 92.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -59.8 | -23.9 | 167 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | I188 L189 E193 L194 L205 V222 L226 | I188-V191 HydrophobicContact CD1-CG2 4.04Å; I188-V191 WeakPolarHBondContact O-CB 3.35Å; I188-V191 WeakPolarHBondContact O-CG2 3.36Å; I188-V191 PolarHBondContact O-N 2.91Å; L189-V191 PolarHBondContact O-N 3.38Å; V191-E193 PolarHBondContact O-N 3.21Å; V191-L194 WeakPolarHBondContact O-CB 3.41Å; V191-L194 PolarHBondContact O-N 2.71Å; V191-L205 HydrophobicContact CG2-CD2 3.69Å; V191-V222 HydrophobicContact CG1-CB 4.45Å; V191-V222 HydrophobicContact CG1-CG1 4.31Å; V191-V222 HydrophobicContact CG1-CG2 4.18Å; V191-V222 HydrophobicContact CG2-CG2 4.42Å; V191-L226 HydrophobicContact CG1-CD1 4.39Å |
| 192 | Q | 90.1 | Very high | 93.2 | Very high | 53 Ų | 53 | 39.4 Ų | 39.4 | 25% | 0.248 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -59 | -28.8 | 173.7 | 81.9 | -172.1 | -1.4 | 0 | 0 | 112.5 | L189 E190 L194 S195 W225 | L189-Q192 WeakPolarHBondContact O-CB 3.3Å; L189-Q192 WeakPolarHBondContact O-CG 3.4Å; L189-Q192 PolarHBondContact O-N 2.74Å; E190-Q192 PolarHBondContact O-N 2.75Å; Q192-L194 PolarHBondContact O-N 2.89Å; Q192-S195 WeakPolarHBondContact O-CB 3.46Å; Q192-S195 PolarHBondContact O-N 2.92Å; Q192-S195 VanDerWaalsContact O-N 3.09Å; Q192-S195 PolarHBondContact O-OG 3.08Å; Q192-W225 HydrophobicContact CB-CD2 3.91Å; Q192-W225 HydrophobicContact CB-CE3 4.07Å; Q192-W225 HydrophobicContact CB-CG 4.44Å; Q192-W225 HydrophobicContact CB-CH2 4.25Å; Q192-W225 HydrophobicContact CB-CZ2 4.1Å; Q192-W225 HydrophobicContact CB-CZ3 4.23Å |
| 193 | E | 91.6 | Very high | 93.2 | Very high | 41 Ų | 41 | 37.5 Ų | 37.5 | 19% | 0.192 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -68.7 | -21.2 | 178.5 | -60 | -53.8 | 133.9 | 0 | 0 | 112 | L164 S168 E190 V191 S195 | L164-E193 WeakPolarHBondContact O-CB 3.38Å; S168-E193 WeakPolarHBondContact CA-O 3.35Å; S168-E193 VanDerWaalsContact CB-O 3.29Å; S168-E193 WeakPolarHBondContact CB-O 3.11Å; S168-E193 WeakPolarHBondContact CB-OE2 3.3Å; S168-E193 PolarHBondContact N-O 2.8Å; S168-E193 PolarHBondContact OG-OE2 2.67Å; E190-E193 WeakPolarHBondContact O-CB 3.45Å; E190-E193 PolarHBondContact O-N 2.83Å; V191-E193 PolarHBondContact O-N 3.21Å; E193-S195 VanDerWaalsContact C-N 3.29Å |
| 194 | L | 94 | Very high | 93.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -81 | -8.9 | 174.9 | -53.6 | -176.6 | 0 | 0 | 0 | 112.6 | L164 L171 L178 V191 Q192 C196 L197 F203 L226 | L164-L194 HydrophobicContact CD1-CD1 4.24Å; L171-L194 HydrophobicContact CD1-CD2 3.53Å; L178-L194 HydrophobicContact CD2-CD1 4.17Å; L178-L194 HydrophobicContact CD2-CD2 4.33Å; V191-L194 WeakPolarHBondContact O-CB 3.41Å; V191-L194 PolarHBondContact O-N 2.71Å; Q192-L194 PolarHBondContact O-N 2.89Å; L194-C196 PolarHBondContact O-N 3.13Å; L194-C196 VanDerWaalsContact O-N 3.08Å; L194-L197 HydrophobicContact CB-CD1 4.27Å; L194-L197 HydrophobicContact CD2-CD1 4.13Å; L194-L197 WeakPolarHBondContact O-CB 3.41Å; L194-L197 WeakPolarHBondContact O-CG 3.27Å; L194-L197 PolarHBondContact O-N 2.97Å; L194-F203 HydrophobicContact CD1-CE1 4.27Å; L194-F203 HydrophobicContact CD1-CE2 3.71Å; L194-F203 HydrophobicContact CD1-CZ 3.52Å; L194-L226 HydrophobicContact CB-CD2 3.96Å; L194-L226 WeakPolarHBondContact O-CD2 3.15Å |
| 195 | S | 91.1 | Very high | 93.1 | Very high | 65 Ų | 65 | 33.2 Ų | 33.2 | 46% | 0.455 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -63.9 | -14.1 | -178.4 | 67.1 | 0 | 0 | 0 | 0 | 114.5 | Q192 E193 L197 W225 | Q192-S195 WeakPolarHBondContact O-CB 3.46Å; Q192-S195 PolarHBondContact O-N 2.92Å; Q192-S195 VanDerWaalsContact O-N 3.09Å; Q192-S195 PolarHBondContact O-OG 3.08Å; E193-S195 VanDerWaalsContact C-N 3.29Å; S195-L197 VanDerWaalsContact C-N 3.33Å; S195-W225 WeakPolarHBondContact CB-O 3.46Å |
| 196 | C | 88.6 | Confident | 93 | Very high | 46 Ų | 46 | 34 Ų | 34 | 31% | 0.311 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -89.1 | 10 | 174.8 | 72.8 | 0 | 0 | 0 | 0 | 114.4 | S168 L194 P198 | S168-C196 WeakPolarHBondContact CA-SG 3.49Å; L194-C196 PolarHBondContact O-N 3.13Å; L194-C196 VanDerWaalsContact O-N 3.08Å; C196-P198 WeakPolarHBondContact O-CD 3.18Å |
| 197 | L | 94.5 | Very high | 93.1 | Very high | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | trans | -97.7 | 87.3 | 175.6 | -59.3 | 178.2 | 0 | 0 | 0 | 109.9 | L171 L194 S195 M199 L200 | L171-L197 HydrophobicContact CB-CD1 4.37Å; L171-L197 HydrophobicContact CB-CD2 4Å; L171-L197 HydrophobicContact CD1-CD1 4.03Å; L194-L197 HydrophobicContact CB-CD1 4.27Å; L194-L197 HydrophobicContact CD2-CD1 4.13Å; L194-L197 WeakPolarHBondContact O-CB 3.41Å; L194-L197 WeakPolarHBondContact O-CG 3.27Å; L194-L197 PolarHBondContact O-N 2.97Å; S195-L197 VanDerWaalsContact C-N 3.33Å; L197-M199 VanDerWaalsContact C-N 3.28Å; L197-M199 PolarHBondContact O-N 2.98Å; L197-L200 HydrophobicContact CB-CB 4.03Å; L197-L200 HydrophobicContact CD1-CD2 4.22Å; L197-L200 PolarHBondContact O-N 2.91Å | ||
| 198 | P | 91.5 | Very high | 93.3 | Very high | 73 Ų | 73 | 34 Ų | 34 | 47% | 0.474 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -25.3 | -169.9 | 29.5 | -37.4 | 0 | 0 | 0 | 113.4 | C196 N228 | C196-P198 WeakPolarHBondContact O-CD 3.18Å; P198-N228 PolarHBondContact O-ND2 3.31Å |
| 199 | M | 95.1 | Very high | 93.3 | Very high | 98 Ų | 98 | 36.1 Ų | 36.1 | 48% | 0.483 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -1.9 | -176.3 | -57.1 | -156.2 | 72.2 | 0 | 0 | 113.6 | L175 E176 L197 T201 | L175-M199 CarbonylContact O-C 3.22Å; L175-M199 VanDerWaalsContact O-C 3.29Å; E176-M199 WeakPolarHBondContact CA-O 3.49Å; E176-M199 HydrophobicContact CG-CB 4.28Å; L197-M199 VanDerWaalsContact C-N 3.28Å; L197-M199 PolarHBondContact O-N 2.98Å; M199-T201 WeakPolarHBondContact O-CG2 3.46Å; M199-T201 PolarHBondContact O-N 3.17Å |
| 200 | L | 96.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | trans | -69.4 | 106.3 | -172.7 | -170.5 | 68.3 | 0 | 0 | 0 | 111.4 | L175 L178 L197 Q202 F203 L226 N228 L229 | L175-L200 VanDerWaalsContact O-CA 3.3Å; L175-L200 WeakPolarHBondContact O-CA 3.28Å; L175-L200 PolarHBondContact O-N 3.4Å; L178-L200 HydrophobicContact CB-CD1 3.7Å; L197-L200 HydrophobicContact CB-CB 4.03Å; L197-L200 HydrophobicContact CD1-CD2 4.22Å; L197-L200 PolarHBondContact O-N 2.91Å; L200-Q202 WeakPolarHBondContact CD1-O 3.48Å; L200-F203 HydrophobicContact CD2-CB 4.35Å; L200-F203 HydrophobicContact CD2-CD2 4.45Å; L200-F203 HydrophobicContact CD2-CG 4.49Å; L200-L226 HydrophobicContact CD2-CD1 4.01Å; L200-L226 HydrophobicContact CD2-CD2 4.24Å; L200-N228 CarbonylContact O-C 3.36Å; L200-L229 HydrophobicContact CG-CD1 4.4Å | ||
| 201 | T | 96.3 | Very high | 93.2 | Very high | 47 Ų | 47 | 34.2 Ų | 34.2 | 29% | 0.288 | 20% | 0.198 | S | C | . | . | trans | -103.5 | -26.6 | -179.5 | 64.3 | 0 | 0 | 0 | 0 | 113 | E176 M199 R230 I231 | E176-T201 PolarHBondContact O-N 2.82Å; E176-T201 PolarHBondContact O-OG1 3.12Å; M199-T201 WeakPolarHBondContact O-CG2 3.46Å; M199-T201 PolarHBondContact O-N 3.17Å; T201-R230 WeakPolarHBondContact O-CA 3.46Å; T201-R230 PolarHBondContact O-N 2.96Å; T201-I231 PolarHBondContact O-N 2.85Å | ||
| 202 | Q | 97.5 | Very high | 92.6 | Very high | 59 Ų | 59 | 42 Ų | 42 | 28% | 0.276 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 128.3 | 177.5 | 178.2 | 169.8 | -14 | 0 | 0 | 111 | E176 I177 L178 L200 I231 | E176-Q202 PolarHBondContact O-N 3.26Å; I177-Q202 WeakPolarHBondContact CA-O 3.46Å; I177-Q202 HydrophobicContact CB-CB 4.42Å; I177-Q202 HydrophobicContact CG1-CB 4.15Å; I177-Q202 HydrophobicContact CG2-CB 4.15Å; I177-Q202 HydrophobicContact CG2-CG 4.08Å; L178-Q202 PolarHBondContact N-O 3.37Å; L200-Q202 WeakPolarHBondContact CD1-O 3.48Å; Q202-I231 WeakPolarHBondContact CA-O 3.47Å; Q202-I231 HydrophobicContact CB-CB 4.16Å; Q202-I231 HydrophobicContact CG-CB 3.95Å; Q202-I231 HydrophobicContact CG-CG2 4Å |
| 203 | F | 97.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 143.1 | -179.4 | -176.1 | -130.8 | 0 | 0 | 0 | 110.1 | L178 L180 L194 L200 L205 V222 L226 L229 I231 L232 D233 | L178-F203 HydrophobicContact CB-CD2 4.06Å; L178-F203 HydrophobicContact CD2-CD2 4.07Å; L178-F203 HydrophobicContact CD2-CE2 3.83Å; L178-F203 HydrophobicContact CG-CD2 4.03Å; L178-F203 HydrophobicContact CG-CE2 4.05Å; L178-F203 CarbonylContact O-C 3.3Å; L178-F203 VanDerWaalsContact O-CA 3.28Å; L178-F203 WeakPolarHBondContact O-CA 3.39Å; L178-F203 WeakPolarHBondContact O-CD2 3.34Å; L180-F203 HydrophobicContact CD1-CE2 4.09Å; L194-F203 HydrophobicContact CD1-CE1 4.27Å; L194-F203 HydrophobicContact CD1-CE2 3.71Å; L194-F203 HydrophobicContact CD1-CZ 3.52Å; L200-F203 HydrophobicContact CD2-CB 4.35Å; L200-F203 HydrophobicContact CD2-CD2 4.45Å; L200-F203 HydrophobicContact CD2-CG 4.49Å; F203-L205 HydrophobicContact CE1-CB 3.82Å; F203-L205 HydrophobicContact CE1-CD2 4.18Å; F203-L205 HydrophobicContact CE1-CG 4.46Å; F203-L205 HydrophobicContact CZ-CB 3.97Å; F203-L205 HydrophobicContact CZ-CD1 4.2Å; F203-L205 HydrophobicContact CZ-CD2 4.41Å; F203-L205 HydrophobicContact CZ-CG 4.42Å; F203-V222 HydrophobicContact CD1-CG1 3.75Å; F203-V222 HydrophobicContact CE1-CG1 3.93Å; F203-L226 HydrophobicContact CD1-CD1 3.77Å; F203-L226 HydrophobicContact CE1-CD1 4.16Å; F203-L226 HydrophobicContact CG-CD1 4.23Å; F203-L229 HydrophobicContact CB-CD1 3.45Å; F203-L229 VanDerWaalsContact CB-CD1 3.45Å; F203-L229 HydrophobicContact CB-CD2 4.06Å; F203-L229 HydrophobicContact CB-CG 4.41Å; F203-I231 PolarHBondContact N-O 2.93Å; F203-L232 HydrophobicContact CD1-CD1 3.98Å; F203-L232 CarbonylContact O-C 3.59Å; F203-L232 VanDerWaalsContact O-CA 3.31Å; F203-L232 WeakPolarHBondContact O-CA 3.49Å; F203-D233 PolarHBondContact O-N 3.39Å |
| 204 | S | 96.1 | Very high | 90.8 | Very high | 15 Ų | 15 | 45.1 Ų | 45.1 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 124 | 171.2 | -58.3 | 0 | 0 | 0 | 0 | 110 | L178 L180 A181 D233 | L178-S204 PolarHBondContact O-N 2.8Å; L180-S204 CarbonylContact C-O 3.4Å; L180-S204 WeakPolarHBondContact CA-O 3.22Å; L180-S204 PolarHBondContact N-O 3.36Å; A181-S204 PolarHBondContact N-O 3.37Å; S204-D233 VanDerWaalsContact CA-OD1 3.23Å; S204-D233 WeakPolarHBondContact CA-OD1 3.47Å |
| 205 | L | 94.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -121.7 | -6.4 | 177 | -171.1 | 60 | 0 | 0 | 0 | 111.8 | I188 V191 F203 N208 I211 V222 D233 | I188-L205 HydrophobicContact CD1-CD2 3.86Å; V191-L205 HydrophobicContact CG2-CD2 3.69Å; F203-L205 HydrophobicContact CE1-CB 3.82Å; F203-L205 HydrophobicContact CE1-CD2 4.18Å; F203-L205 HydrophobicContact CE1-CG 4.46Å; F203-L205 HydrophobicContact CZ-CB 3.97Å; F203-L205 HydrophobicContact CZ-CD1 4.2Å; F203-L205 HydrophobicContact CZ-CD2 4.41Å; F203-L205 HydrophobicContact CZ-CG 4.42Å; L205-N208 HydrophobicContact CD1-CB 4.47Å; L205-N208 WeakPolarHBondContact O-CB 3.41Å; L205-N208 PolarHBondContact O-ND2 3.18Å; L205-I211 VanDerWaalsContact C-CD1 3.47Å; L205-I211 HydrophobicContact CB-CD1 4.32Å; L205-I211 HydrophobicContact CG-CD1 4.21Å; L205-I211 WeakPolarHBondContact O-CD1 3.25Å; L205-V222 HydrophobicContact CD2-CG2 4.11Å; L205-D233 PolarHBondContact N-OD1 3.28Å | ||
| 206 | G | 92.4 | Very high | 88.5 | Confident | 16 Ų | 16 | 51.6 Ų | 51.6 | 17% | 0.165 | 30% | 0.295 | C | S | . | . | trans | -44.6 | 147.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | A181 S182 N208 I211 D233 | A181-G206 CarbonylContact C-O 3.23Å; A181-G206 WeakPolarHBondContact CA-O 3.28Å; A181-G206 WeakPolarHBondContact CB-O 3.38Å; S182-G206 PolarHBondContact N-O 2.76Å; G206-N208 VanDerWaalsContact C-N 3.3Å; G206-N208 PolarHBondContact O-N 3.06Å; G206-N208 PolarHBondContact O-ND2 3.01Å; G206-I211 VanDerWaalsContact CA-CD1 3.47Å; G206-D233 PolarHBondContact N-OD1 3.22Å | ||
| 207 | N | 92 | Very high | 88.1 | Confident | 122 Ų | 122 | 53.3 Ų | 53.3 | 65% | 0.652 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 59.8 | 34.5 | 178 | -160.3 | 41.8 | 0 | 0 | 0 | 114.3 | S182 | S182-N207 WeakPolarHBondContact CA-O 3.33Å; S182-N207 PolarHBondContact OG-ND2 2.92Å |
| 208 | N | 94.6 | Very high | 87.9 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.011 | 30% | 0.303 | C | S | . | . | trans | -105.7 | 148.3 | 167 | -83.8 | -95.2 | 0 | 0 | 0 | 110.5 | L180 N183 M184 V185 L205 G206 C210 I211 | L180-N208 PolarHBondContact O-ND2 2.82Å; N183-N208 VanDerWaalsContact CA-OD1 3.3Å; N183-N208 WeakPolarHBondContact CA-OD1 3.4Å; N183-N208 WeakPolarHBondContact CB-OD1 3.14Å; N183-N208 PolarHBondContact N-ND2 2.85Å; N183-N208 PolarHBondContact N-OD1 2.96Å; N183-N208 PolarHBondContact O-OD1 3.02Å; N183-N208 VanDerWaalsContact O-OD1 3.11Å; M184-N208 PolarHBondContact N-OD1 2.99Å; V185-N208 HydrophobicContact CB-CB 4.27Å; V185-N208 VanDerWaalsContact CB-OD1 3.31Å; V185-N208 WeakPolarHBondContact CB-OD1 3.37Å; V185-N208 WeakPolarHBondContact CG2-OD1 3.37Å; V185-N208 PolarHBondContact N-OD1 3.1Å; L205-N208 HydrophobicContact CD1-CB 4.47Å; L205-N208 WeakPolarHBondContact O-CB 3.41Å; L205-N208 PolarHBondContact O-ND2 3.18Å; G206-N208 VanDerWaalsContact C-N 3.3Å; G206-N208 PolarHBondContact O-N 3.06Å; G206-N208 PolarHBondContact O-ND2 3.01Å; N208-C210 PolarHBondContact O-N 2.92Å; N208-C210 VanDerWaalsContact O-N 3.09Å; N208-I211 WeakPolarHBondContact O-CB 3.18Å; N208-I211 PolarHBondContact O-N 3.01Å | ||
| 209 | P | 91.9 | Very high | 87.7 | Confident | 51 Ų | 51 | 53.6 Ų | 53.6 | 33% | 0.331 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -54.7 | -30.2 | 179.7 | -26.7 | 33.6 | 0 | 0 | 0 | 114.9 | V185 I211 E212 | V185-P209 WeakPolarHBondContact O-CD 3.32Å; P209-I211 PolarHBondContact O-N 2.86Å; P209-E212 PolarHBondContact O-N 2.82Å |
| 210 | C | 89.2 | Confident | 87.4 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.9 | -28.8 | 175.4 | 65.2 | 0 | 0 | 0 | 0 | 113.3 | V185 I188 N208 S213 | V185-C210 VanDerWaalsContact O-CB 3.3Å; V185-C210 WeakPolarHBondContact O-CB 3.24Å; V185-C210 PolarHBondContact O-N 3.13Å; V185-C210 PolarHBondContact O-SG 2.99Å; I188-C210 HydrophobicContact CB-CB 4.11Å; I188-C210 HydrophobicContact CD1-CB 4.49Å; N208-C210 PolarHBondContact O-N 2.92Å; N208-C210 VanDerWaalsContact O-N 3.09Å; C210-S213 PolarHBondContact O-OG 3.27Å |
| 211 | I | 88.5 | Confident | 87 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 11% | 0.108 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -75.9 | -40.4 | -178.1 | -69.6 | 178.2 | 0 | 0 | 0 | 111.8 | L205 G206 N208 P209 S213 F214 A215 Y218 | L205-I211 VanDerWaalsContact C-CD1 3.47Å; L205-I211 HydrophobicContact CB-CD1 4.32Å; L205-I211 HydrophobicContact CG-CD1 4.21Å; L205-I211 WeakPolarHBondContact O-CD1 3.25Å; G206-I211 VanDerWaalsContact CA-CD1 3.47Å; N208-I211 WeakPolarHBondContact O-CB 3.18Å; N208-I211 PolarHBondContact O-N 3.01Å; P209-I211 PolarHBondContact O-N 2.86Å; I211-S213 PolarHBondContact O-N 3.04Å; I211-F214 CarbonylContact O-C 3.36Å; I211-F214 PolarHBondContact O-N 2.76Å; I211-A215 VanDerWaalsContact O-CA 3.29Å; I211-A215 WeakPolarHBondContact O-CA 3.37Å; I211-A215 PolarHBondContact O-N 2.96Å; I211-Y218 HydrophobicContact CB-CD1 4.49Å; I211-Y218 HydrophobicContact CD1-CD2 3.97Å; I211-Y218 HydrophobicContact CD1-CE1 4.49Å; I211-Y218 HydrophobicContact CD1-CE2 3.61Å; I211-Y218 HydrophobicContact CG1-CD1 4.34Å; I211-Y218 HydrophobicContact CG1-CD2 3.81Å; I211-Y218 HydrophobicContact CG1-CE1 4.45Å; I211-Y218 HydrophobicContact CG1-CE2 3.96Å; I211-Y218 HydrophobicContact CG1-CG 4.01Å; I211-Y218 HydrophobicContact CG2-CD1 3.77Å; I211-Y218 HydrophobicContact CG2-CE1 3.59Å; I211-Y218 HydrophobicContact CG2-CG 4.3Å |
| 212 | E | 80.6 | Confident | 86.7 | Confident | 162 Ų | 162 | 48.4 Ų | 48.4 | 76% | 0.757 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -57.2 | -36.7 | -179.8 | -62.8 | -172.3 | 163.4 | 0 | 0 | 111.5 | P209 F214 | P209-E212 PolarHBondContact O-N 2.82Å; E212-F214 VanDerWaalsContact C-N 3.34Å; E212-F214 PolarHBondContact O-N 3.14Å |
| 213 | S | 72.8 | Confident | 86.3 | Confident | 86 Ų | 86 | 46 Ų | 46 | 60% | 0.601 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -14.5 | 176.9 | 67.8 | 0 | 0 | 0 | 0 | 115.3 | C210 I211 | C210-S213 PolarHBondContact O-OG 3.27Å; I211-S213 PolarHBondContact O-N 3.04Å |
| 214 | F | 72.3 | Confident | 85.8 | Confident | 74 Ų | 74 | 46.4 Ų | 46.4 | 33% | 0.325 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | 20.9 | -176.1 | -90 | -99.4 | 0 | 0 | 0 | 113.2 | I188 I211 E212 N216 D217 Y218 | I188-F214 HydrophobicContact CB-CD2 4.35Å; I188-F214 HydrophobicContact CG2-CD1 4.42Å; I188-F214 HydrophobicContact CG2-CD2 3.67Å; I188-F214 HydrophobicContact CG2-CE1 4.23Å; I188-F214 HydrophobicContact CG2-CE2 3.45Å; I188-F214 VanDerWaalsContact CG2-CE2 3.45Å; I188-F214 HydrophobicContact CG2-CG 4.16Å; I188-F214 HydrophobicContact CG2-CZ 3.75Å; I211-F214 CarbonylContact O-C 3.36Å; I211-F214 PolarHBondContact O-N 2.76Å; E212-F214 VanDerWaalsContact C-N 3.34Å; E212-F214 PolarHBondContact O-N 3.14Å; F214-N216 PolarHBondContact O-N 3.28Å; F214-D217 PolarHBondContact O-N 2.89Å; F214-Y218 PolarHBondContact O-N 2.86Å |
| 215 | A | 67.3 | Low | 85.5 | Confident | 58 Ų | 58 | 48.3 Ų | 48.3 | 48% | 0.479 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -28.8 | -52.6 | -160.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | I211 Y218 | I211-A215 VanDerWaalsContact O-CA 3.29Å; I211-A215 WeakPolarHBondContact O-CA 3.37Å; I211-A215 PolarHBondContact O-N 2.96Å; A215-Y218 WeakPolarHBondContact O-CD1 3.31Å; A215-Y218 VanDerWaalsContact O-CE1 3.27Å; A215-Y218 WeakPolarHBondContact O-CE1 3.38Å |
| 216 | N | 68.1 | Low | 85.3 | Confident | 144 Ų | 144 | 48.7 Ų | 48.7 | 77% | 0.77 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -30.8 | -177.8 | -66.9 | -20.5 | 0 | 0 | 0 | 113.5 | F214 | F214-N216 PolarHBondContact O-N 3.28Š|
| 217 | D | 81.6 | Confident | 85 | Confident | 82 Ų | 82 | 51.9 Ų | 51.9 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -14.1 | -171 | -63.1 | -33.9 | 0 | 0 | 0 | 113.2 | F214 K219 L220 F221 F248 | F214-D217 PolarHBondContact O-N 2.89Å; D217-K219 PolarHBondContact O-N 2.83Å; D217-L220 PolarHBondContact O-N 3.47Å; D217-L220 VanDerWaalsContact O-N 3.09Å; D217-F221 PolarHBondContact O-N 3.47Å; D217-F248 HydrophobicContact CB-CE2 4.33Å; D217-F248 HydrophobicContact CB-CZ 3.98Å |
| 218 | Y | 88.9 | Confident | 84.9 | Confident | 23 Ų | 23 | 50.5 Ų | 50.5 | 9% | 0.09 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.6 | -36.4 | 178.6 | 85 | -86.1 | 0 | 0 | 0 | 111.8 | I211 F214 A215 L220 F221 V222 D233 | I211-Y218 HydrophobicContact CB-CD1 4.49Å; I211-Y218 HydrophobicContact CD1-CD2 3.97Å; I211-Y218 HydrophobicContact CD1-CE1 4.49Å; I211-Y218 HydrophobicContact CD1-CE2 3.61Å; I211-Y218 HydrophobicContact CG1-CD1 4.34Å; I211-Y218 HydrophobicContact CG1-CD2 3.81Å; I211-Y218 HydrophobicContact CG1-CE1 4.45Å; I211-Y218 HydrophobicContact CG1-CE2 3.96Å; I211-Y218 HydrophobicContact CG1-CG 4.01Å; I211-Y218 HydrophobicContact CG2-CD1 3.77Å; I211-Y218 HydrophobicContact CG2-CE1 3.59Å; I211-Y218 HydrophobicContact CG2-CG 4.3Å; F214-Y218 PolarHBondContact O-N 2.86Å; A215-Y218 WeakPolarHBondContact O-CD1 3.31Å; A215-Y218 VanDerWaalsContact O-CE1 3.27Å; A215-Y218 WeakPolarHBondContact O-CE1 3.38Å; Y218-L220 PolarHBondContact O-N 2.98Å; Y218-F221 WeakPolarHBondContact O-CB 3.38Å; Y218-F221 PolarHBondContact O-N 2.89Å; Y218-V222 HydrophobicContact CD2-CG2 4.23Å; Y218-V222 WeakPolarHBondContact O-CB 3.34Å; Y218-V222 VanDerWaalsContact O-CG2 3.23Å; Y218-V222 WeakPolarHBondContact O-CG2 3.47Å; Y218-V222 PolarHBondContact O-N 2.93Å; Y218-D233 PolarHBondContact OH-OD2 2.91Å |
| 219 | K | 88.9 | Confident | 84.9 | Confident | 64 Ų | 64 | 50.6 Ų | 50.6 | 28% | 0.278 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.8 | -47.8 | 177.2 | -68 | -161.2 | 172.6 | -165 | 0 | 110.7 | D217 F221 V222 L223 L232 T235 | D217-K219 PolarHBondContact O-N 2.83Å; K219-F221 VanDerWaalsContact C-N 3.31Å; K219-F221 PolarHBondContact O-N 3.26Å; K219-V222 PolarHBondContact O-N 3.47Å; K219-L223 WeakPolarHBondContact O-CB 3.11Å; K219-L223 WeakPolarHBondContact O-CD1 3.47Å; K219-L223 WeakPolarHBondContact O-CG 3.32Å; K219-L223 PolarHBondContact O-N 3.45Å; K219-L232 HydrophobicContact CB-CD2 3.97Å; K219-L232 HydrophobicContact CD-CD2 4.29Å; K219-L232 HydrophobicContact CG-CD2 3.87Å; K219-T235 PolarHBondContact NZ-OG1 2.93Å; K219-T235 VanDerWaalsContact NZ-OG1 3.1Å |
| 220 | L | 87.3 | Confident | 84.9 | Confident | 35 Ų | 35 | 56.6 Ų | 56.6 | 18% | 0.183 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.2 | -37.8 | 176.9 | -57.3 | -179.4 | 0 | 0 | 0 | 111.9 | D217 Y218 G224 K244 A245 F248 | D217-L220 PolarHBondContact O-N 3.47Å; D217-L220 VanDerWaalsContact O-N 3.09Å; Y218-L220 PolarHBondContact O-N 2.98Å; L220-G224 PolarHBondContact O-N 2.96Å; L220-G224 VanDerWaalsContact O-N 3.09Å; L220-K244 HydrophobicContact CD2-CB 3.83Å; L220-A245 HydrophobicContact CB-CB 4.5Å; L220-A245 HydrophobicContact CD2-CB 4.21Å; L220-F248 HydrophobicContact CB-CB 4.23Å; L220-F248 HydrophobicContact CB-CD1 3.71Å; L220-F248 HydrophobicContact CB-CE1 4.17Å; L220-F248 HydrophobicContact CB-CG 3.96Å; L220-F248 HydrophobicContact CD1-CB 4.37Å; L220-F248 HydrophobicContact CD1-CD2 4.29Å; L220-F248 HydrophobicContact CD1-CG 4.26Å |
| 221 | F | 87.9 | Confident | 85.2 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.009 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.1 | -50.4 | 175.6 | -173 | -88.1 | 0 | 0 | 0 | 112.3 | I188 L189 D217 Y218 K219 L223 G224 W225 F248 I252 | I188-F221 HydrophobicContact CD1-CD1 4.48Å; I188-F221 HydrophobicContact CG1-CD1 3.73Å; I188-F221 HydrophobicContact CG1-CE1 4.09Å; I188-F221 HydrophobicContact CG1-CG 4.4Å; I188-F221 VanDerWaalsContact O-CE1 3.32Å; I188-F221 WeakPolarHBondContact O-CE1 3.12Å; L189-F221 HydrophobicContact CD2-CE1 4.47Å; L189-F221 HydrophobicContact CD2-CE2 4.01Å; L189-F221 HydrophobicContact CD2-CZ 3.58Å; D217-F221 PolarHBondContact O-N 3.47Å; Y218-F221 WeakPolarHBondContact O-CB 3.38Å; Y218-F221 PolarHBondContact O-N 2.89Å; K219-F221 VanDerWaalsContact C-N 3.31Å; K219-F221 PolarHBondContact O-N 3.26Å; F221-L223 PolarHBondContact O-N 3.22Å; F221-G224 PolarHBondContact O-N 3.28Å; F221-W225 AromaticContact CD1-CD1 3.86Å; F221-W225 AromaticContact CE1-CD1 3.5Å; F221-W225 VanDerWaalsContact CE1-CD1 3.5Å; F221-W225 AromaticContact CE1-NE1 3.42Å; F221-W225 AromaticContact CE2-NE1 3.69Å; F221-W225 AromaticContact CZ-CD1 3.79Å; F221-W225 AromaticContact CZ-NE1 3.19Å; F221-W225 VanDerWaalsContact O-CD1 3.24Å; F221-W225 PolarHBondContact O-N 3.28Å; F221-F248 HydrophobicContact CB-CE1 4.2Å; F221-I252 HydrophobicContact CD2-CD1 4.14Å |
| 222 | V | 90.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.4 | -48.5 | 178.3 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | I188 V191 F203 L205 Y218 K219 G224 W225 L226 L229 L232 | I188-V222 HydrophobicContact CD1-CG2 4.26Å; V191-V222 HydrophobicContact CG1-CB 4.45Å; V191-V222 HydrophobicContact CG1-CG1 4.31Å; V191-V222 HydrophobicContact CG1-CG2 4.18Å; V191-V222 HydrophobicContact CG2-CG2 4.42Å; F203-V222 HydrophobicContact CD1-CG1 3.75Å; F203-V222 HydrophobicContact CE1-CG1 3.93Å; L205-V222 HydrophobicContact CD2-CG2 4.11Å; Y218-V222 HydrophobicContact CD2-CG2 4.23Å; Y218-V222 WeakPolarHBondContact O-CB 3.34Å; Y218-V222 VanDerWaalsContact O-CG2 3.23Å; Y218-V222 WeakPolarHBondContact O-CG2 3.47Å; Y218-V222 PolarHBondContact O-N 2.93Å; K219-V222 PolarHBondContact O-N 3.47Å; V222-G224 VanDerWaalsContact C-N 3.33Å; V222-G224 PolarHBondContact O-N 3.46Å; V222-W225 PolarHBondContact O-N 3.44Å; V222-W225 VanDerWaalsContact O-N 3.14Å; V222-L226 HydrophobicContact CG1-CD1 3.96Å; V222-L226 PolarHBondContact O-N 2.99Å; V222-L229 HydrophobicContact CG1-CD2 4.39Å; V222-L232 HydrophobicContact CB-CD2 4.39Å; V222-L232 HydrophobicContact CG1-CD1 4Å; V222-L232 HydrophobicContact CG1-CD2 4.25Å |
| 223 | L | 89.4 | Confident | 86 | Confident | 10 Ų | 10 | 52.1 Ų | 52.1 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 179.8 | -69.9 | 169.1 | 0 | 0 | 0 | 113.2 | K219 F221 W225 L226 L229 L232 L237 D241 A245 | K219-L223 WeakPolarHBondContact O-CB 3.11Å; K219-L223 WeakPolarHBondContact O-CD1 3.47Å; K219-L223 WeakPolarHBondContact O-CG 3.32Å; K219-L223 PolarHBondContact O-N 3.45Å; F221-L223 PolarHBondContact O-N 3.22Å; L223-W225 PolarHBondContact O-N 2.96Å; L223-L226 CarbonylContact O-C 3.43Å; L223-L226 PolarHBondContact O-N 3.38Å; L223-L229 HydrophobicContact CD2-CB 4.35Å; L223-L229 HydrophobicContact CD2-CD2 4.03Å; L223-L232 HydrophobicContact CG-CD2 4.43Å; L223-L237 HydrophobicContact CD1-CD2 3.84Å; L223-L237 HydrophobicContact CD2-CD1 3.31Å; L223-L237 HydrophobicContact CD2-CD2 3.67Å; L223-L237 HydrophobicContact CD2-CG 4.09Å; L223-L237 HydrophobicContact CG-CD2 4.32Å; L223-D241 HydrophobicContact CD1-CB 4.43Å; L223-A245 HydrophobicContact CB-CB 3.39Å; L223-A245 HydrophobicContact CD1-CB 4.06Å; L223-A245 HydrophobicContact CG-CB 4.37Å |
| 224 | G | 87.2 | Confident | 86.8 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 7% | 0.072 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68 | -17.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L220 F221 V222 I249 K253 | L220-G224 PolarHBondContact O-N 2.96Å; L220-G224 VanDerWaalsContact O-N 3.09Å; F221-G224 PolarHBondContact O-N 3.28Å; V222-G224 VanDerWaalsContact C-N 3.33Å; V222-G224 PolarHBondContact O-N 3.46Å; G224-I249 WeakPolarHBondContact O-CD1 3.17Å; G224-K253 PolarHBondContact O-NZ 2.98Å |
| 225 | W | 89.1 | Confident | 87.7 | Confident | 56 Ų | 56 | 50.4 Ų | 50.4 | 21% | 0.212 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -98.4 | -24.5 | 172.2 | -69.9 | 112.6 | 0 | 0 | 0 | 113.4 | Q192 S195 F221 V222 L223 P227 I249 | Q192-W225 HydrophobicContact CB-CD2 3.91Å; Q192-W225 HydrophobicContact CB-CE3 4.07Å; Q192-W225 HydrophobicContact CB-CG 4.44Å; Q192-W225 HydrophobicContact CB-CH2 4.25Å; Q192-W225 HydrophobicContact CB-CZ2 4.1Å; Q192-W225 HydrophobicContact CB-CZ3 4.23Å; S195-W225 WeakPolarHBondContact CB-O 3.46Å; F221-W225 AromaticContact CD1-CD1 3.86Å; F221-W225 AromaticContact CE1-CD1 3.5Å; F221-W225 VanDerWaalsContact CE1-CD1 3.5Å; F221-W225 AromaticContact CE1-NE1 3.42Å; F221-W225 AromaticContact CE2-NE1 3.69Å; F221-W225 AromaticContact CZ-CD1 3.79Å; F221-W225 AromaticContact CZ-NE1 3.19Å; F221-W225 VanDerWaalsContact O-CD1 3.24Å; F221-W225 PolarHBondContact O-N 3.28Å; V222-W225 PolarHBondContact O-N 3.44Å; V222-W225 VanDerWaalsContact O-N 3.14Å; L223-W225 PolarHBondContact O-N 2.96Å; W225-P227 WeakPolarHBondContact O-CD 3.29Å; W225-I249 HydrophobicContact CD2-CD1 3.97Å; W225-I249 HydrophobicContact CG-CD1 3.98Å; W225-I249 HydrophobicContact CZ2-CD1 4.35Å |
| 226 | L | 91.7 | Very high | 88.8 | Confident | 7 Ų | 7 | 58.1 Ų | 58.1 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | trans | -119.6 | 73.7 | -177.6 | -59.3 | 178.9 | 0 | 0 | 0 | 110.8 | V191 L194 L200 F203 V222 L223 N228 L229 | V191-L226 HydrophobicContact CG1-CD1 4.39Å; L194-L226 HydrophobicContact CB-CD2 3.96Å; L194-L226 WeakPolarHBondContact O-CD2 3.15Å; L200-L226 HydrophobicContact CD2-CD1 4.01Å; L200-L226 HydrophobicContact CD2-CD2 4.24Å; F203-L226 HydrophobicContact CD1-CD1 3.77Å; F203-L226 HydrophobicContact CE1-CD1 4.16Å; F203-L226 HydrophobicContact CG-CD1 4.23Å; V222-L226 HydrophobicContact CG1-CD1 3.96Å; V222-L226 PolarHBondContact O-N 2.99Å; L223-L226 CarbonylContact O-C 3.43Å; L223-L226 PolarHBondContact O-N 3.38Å; L226-N228 VanDerWaalsContact C-N 3.3Å; L226-N228 PolarHBondContact O-N 3.43Å; L226-L229 HydrophobicContact CB-CB 4.22Å; L226-L229 WeakPolarHBondContact O-CB 3.43Å; L226-L229 PolarHBondContact O-N 2.99Å | ||
| 227 | P | 84.6 | Confident | 89.9 | Confident | 84 Ų | 84 | 52.4 Ų | 52.4 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -21 | -170.3 | 28.7 | -36.8 | 0 | 0 | 0 | 114.6 | W225 L229 | W225-P227 WeakPolarHBondContact O-CD 3.29Å; P227-L229 VanDerWaalsContact C-N 3.27Å |
| 228 | N | 90.8 | Very high | 90.2 | Very high | 93 Ų | 93 | 51.8 Ų | 51.8 | 50% | 0.497 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 1.4 | 178.8 | -67 | -16.6 | 0 | 0 | 0 | 113 | P198 L200 L226 | P198-N228 PolarHBondContact O-ND2 3.31Å; L200-N228 CarbonylContact O-C 3.36Å; L226-N228 VanDerWaalsContact C-N 3.3Å; L226-N228 PolarHBondContact O-N 3.43Å |
| 229 | L | 93.3 | Very high | 90.1 | Very high | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | trans | -69.1 | 132 | -177.3 | -160.8 | 71.9 | 0 | 0 | 0 | 111.3 | L200 F203 V222 L223 L226 P227 L232 L237 | L200-L229 HydrophobicContact CG-CD1 4.4Å; F203-L229 HydrophobicContact CB-CD1 3.45Å; F203-L229 VanDerWaalsContact CB-CD1 3.45Å; F203-L229 HydrophobicContact CB-CD2 4.06Å; F203-L229 HydrophobicContact CB-CG 4.41Å; V222-L229 HydrophobicContact CG1-CD2 4.39Å; L223-L229 HydrophobicContact CD2-CB 4.35Å; L223-L229 HydrophobicContact CD2-CD2 4.03Å; L226-L229 HydrophobicContact CB-CB 4.22Å; L226-L229 WeakPolarHBondContact O-CB 3.43Å; L226-L229 PolarHBondContact O-N 2.99Å; P227-L229 VanDerWaalsContact C-N 3.27Å; L229-L232 HydrophobicContact CD2-CB 3.9Å; L229-L232 HydrophobicContact CD2-CD1 4.1Å; L229-L232 HydrophobicContact CD2-CG 4.42Å; L229-L237 HydrophobicContact CB-CD1 4.05Å; L229-L237 HydrophobicContact CD2-CD1 4.06Å; L229-L237 HydrophobicContact CG-CD1 3.9Å; L229-L237 VanDerWaalsContact O-CD1 3.27Å; L229-L237 WeakPolarHBondContact O-CD1 3.44Å | ||
| 230 | R | 93.4 | Very high | 90 | Very high | 176 Ų | 176 | 61.3 Ų | 61.3 | 66% | 0.664 | 31% | 0.306 | S | S | * | . | trans | -112.5 | -27.6 | 179.7 | -60.5 | -179.3 | -179.6 | -92.6 | 5.8 | 112.7 | T201 L237 | T201-R230 WeakPolarHBondContact O-CA 3.46Å; T201-R230 PolarHBondContact O-N 2.96Å; R230-L237 PolarHBondContact O-N 2.99Å | ||
| 231 | I | 95.1 | Very high | 90 | Very high | 51 Ų | 51 | 62 Ų | 62 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 124.8 | 179.2 | -58 | 173.9 | 0 | 0 | 0 | 108.8 | T201 Q202 F203 T235 | T201-I231 PolarHBondContact O-N 2.85Å; Q202-I231 WeakPolarHBondContact CA-O 3.47Å; Q202-I231 HydrophobicContact CB-CB 4.16Å; Q202-I231 HydrophobicContact CG-CB 3.95Å; Q202-I231 HydrophobicContact CG-CG2 4Å; F203-I231 PolarHBondContact N-O 2.93Å; I231-T235 WeakPolarHBondContact CA-O 3.2Å |
| 232 | L | 94.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 121.9 | 173.3 | 178.8 | 58.1 | 0 | 0 | 0 | 109.4 | F203 K219 V222 L223 L229 G234 T235 L237 | F203-L232 HydrophobicContact CD1-CD1 3.98Å; F203-L232 CarbonylContact O-C 3.59Å; F203-L232 VanDerWaalsContact O-CA 3.31Å; F203-L232 WeakPolarHBondContact O-CA 3.49Å; K219-L232 HydrophobicContact CB-CD2 3.97Å; K219-L232 HydrophobicContact CD-CD2 4.29Å; K219-L232 HydrophobicContact CG-CD2 3.87Å; V222-L232 HydrophobicContact CB-CD2 4.39Å; V222-L232 HydrophobicContact CG1-CD1 4Å; V222-L232 HydrophobicContact CG1-CD2 4.25Å; L223-L232 HydrophobicContact CG-CD2 4.43Å; L229-L232 HydrophobicContact CD2-CB 3.9Å; L229-L232 HydrophobicContact CD2-CD1 4.1Å; L229-L232 HydrophobicContact CD2-CG 4.42Å; L232-G234 PolarHBondContact O-N 3.5Å; L232-T235 PolarHBondContact N-O 2.97Å; L232-T235 WeakPolarHBondContact O-CA 3.09Å; L232-T235 WeakPolarHBondContact O-CB 3.39Å; L232-T235 PolarHBondContact O-N 3.48Å; L232-T235 PolarHBondContact O-OG1 2.96Å; L232-L237 HydrophobicContact CB-CD1 4.27Å; L232-L237 HydrophobicContact CB-CD2 4.13Å; L232-L237 HydrophobicContact CB-CG 4.42Å |
| 233 | D | 92 | Very high | 89.7 | Confident | 39 Ų | 39 | 71 Ų | 71 | 21% | 0.209 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 40.3 | 177.5 | -59.5 | -50.5 | 0 | 0 | 0 | 113.3 | F203 S204 L205 G206 Y218 T235 | F203-D233 PolarHBondContact O-N 3.39Å; S204-D233 VanDerWaalsContact CA-OD1 3.23Å; S204-D233 WeakPolarHBondContact CA-OD1 3.47Å; L205-D233 PolarHBondContact N-OD1 3.28Å; G206-D233 PolarHBondContact N-OD1 3.22Å; Y218-D233 PolarHBondContact OH-OD2 2.91Å; D233-T235 PolarHBondContact O-N 2.94Å |
| 234 | G | 89.5 | Confident | 89.6 | Confident | 60 Ų | 60 | 75 Ų | 75 | 62% | 0.619 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | -9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L232 | L232-G234 PolarHBondContact O-N 3.5Š|
| 235 | T | 90.4 | Very high | 89.5 | Confident | 64 Ų | 64 | 74.7 Ų | 74.7 | 39% | 0.393 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 123.3 | 175.2 | 58.6 | 0 | 0 | 0 | 0 | 111.2 | K219 I231 L232 D233 | K219-T235 PolarHBondContact NZ-OG1 2.93Å; K219-T235 VanDerWaalsContact NZ-OG1 3.1Å; I231-T235 WeakPolarHBondContact CA-O 3.2Å; L232-T235 PolarHBondContact N-O 2.97Å; L232-T235 WeakPolarHBondContact O-CA 3.09Å; L232-T235 WeakPolarHBondContact O-CB 3.39Å; L232-T235 PolarHBondContact O-N 3.48Å; L232-T235 PolarHBondContact O-OG1 2.96Å; D233-T235 PolarHBondContact O-N 2.94Å |
| 236 | R | 91.6 | Very high | 89.3 | Confident | 220 Ų | 220 | 75.8 Ų | 75.8 | 83% | 0.83 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 129 | 173.9 | -175.7 | 177.4 | -178.4 | 171.2 | 1.9 | 109.5 | ||
| 237 | L | 89.6 | Confident | 88.9 | Confident | 24 Ų | 24 | 79.5 Ų | 79.5 | 13% | 0.126 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 138 | -173.5 | -63.2 | 161.1 | 0 | 0 | 0 | 111.3 | L223 L229 R230 L232 D241 | L223-L237 HydrophobicContact CD1-CD2 3.84Å; L223-L237 HydrophobicContact CD2-CD1 3.31Å; L223-L237 HydrophobicContact CD2-CD2 3.67Å; L223-L237 HydrophobicContact CD2-CG 4.09Å; L223-L237 HydrophobicContact CG-CD2 4.32Å; L229-L237 HydrophobicContact CB-CD1 4.05Å; L229-L237 HydrophobicContact CD2-CD1 4.06Å; L229-L237 HydrophobicContact CG-CD1 3.9Å; L229-L237 VanDerWaalsContact O-CD1 3.27Å; L229-L237 WeakPolarHBondContact O-CD1 3.44Å; R230-L237 PolarHBondContact O-N 2.99Å; L232-L237 HydrophobicContact CB-CD1 4.27Å; L232-L237 HydrophobicContact CB-CD2 4.13Å; L232-L237 HydrophobicContact CB-CG 4.42Å; L237-D241 HydrophobicContact CD2-CB 4.49Å |
| 238 | T | 89.3 | Confident | 88.8 | Confident | 69 Ų | 69 | 78.5 Ų | 78.5 | 42% | 0.423 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -95 | 165.7 | 175.4 | 72.3 | 0 | 0 | 0 | 0 | 111.5 | E240 D241 I242 | T238-E240 PolarHBondContact O-N 3.21Å; T238-E240 PolarHBondContact OG1-N 3.16Å; T238-D241 WeakPolarHBondContact CB-OD2 3.28Å; T238-D241 PolarHBondContact N-OD2 2.93Å; T238-D241 PolarHBondContact O-N 3.5Å; T238-D241 PolarHBondContact OG1-N 3.36Å; T238-D241 PolarHBondContact OG1-OD2 3.03Å; T238-I242 WeakPolarHBondContact O-CG1 3.38Å; T238-I242 PolarHBondContact O-N 3.15Å |
| 239 | K | 86.9 | Confident | 88.2 | Confident | 172 Ų | 172 | 74.3 Ų | 74.3 | 75% | 0.748 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.6 | -38.1 | 171.8 | -66.9 | -175.7 | 179.3 | -179.7 | 0 | 111.7 | D241 I242 E243 | K239-D241 VanDerWaalsContact C-N 3.35Å; K239-D241 PolarHBondContact O-N 3.06Å; K239-I242 PolarHBondContact O-N 3.47Å; K239-E243 WeakPolarHBondContact O-CG 3.26Å; K239-E243 PolarHBondContact O-N 2.96Å |
| 240 | E | 86.9 | Confident | 87.4 | Confident | 114 Ų | 114 | 77.7 Ų | 77.7 | 53% | 0.533 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.6 | -38.5 | 179 | -164.1 | -169.8 | 156.3 | 0 | 0 | 112 | T238 E243 K244 | T238-E240 PolarHBondContact O-N 3.21Å; T238-E240 PolarHBondContact OG1-N 3.16Å; E240-E243 PolarHBondContact O-N 2.86Å; E240-K244 VanDerWaalsContact CD-NZ 3.26Å; E240-K244 HydrophobicContact CG-CD 4.41Å; E240-K244 WeakPolarHBondContact O-CB 3.38Å; E240-K244 VanDerWaalsContact O-CG 3.24Å; E240-K244 WeakPolarHBondContact O-CG 3.38Å; E240-K244 PolarHBondContact O-N 3.08Å; E240-K244 WeakPolarHBondContact OE1-CE 3.48Å; E240-K244 IonicContact OE1-NZ 3.02Å; E240-K244 PolarHBondContact OE1-NZ 3Å |
| 241 | D | 86.9 | Confident | 86.6 | Confident | 50 Ų | 50 | 71 Ų | 71 | 27% | 0.267 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 175.9 | -57.7 | -51.9 | 0 | 0 | 0 | 111.7 | L223 L237 T238 K239 K244 A245 | L223-D241 HydrophobicContact CD1-CB 4.43Å; L237-D241 HydrophobicContact CD2-CB 4.49Å; T238-D241 WeakPolarHBondContact CB-OD2 3.28Å; T238-D241 PolarHBondContact N-OD2 2.93Å; T238-D241 PolarHBondContact O-N 3.5Å; T238-D241 PolarHBondContact OG1-N 3.36Å; T238-D241 PolarHBondContact OG1-OD2 3.03Å; K239-D241 VanDerWaalsContact C-N 3.35Å; K239-D241 PolarHBondContact O-N 3.06Å; D241-K244 PolarHBondContact O-N 2.67Å; D241-A245 VanDerWaalsContact O-CB 3.3Å; D241-A245 WeakPolarHBondContact O-CB 3.4Å; D241-A245 PolarHBondContact O-N 2.8Å |
| 242 | I | 86.3 | Confident | 85.4 | Confident | 59 Ų | 59 | 69.8 Ų | 69.8 | 30% | 0.303 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 177.7 | -63.9 | 166.5 | 0 | 0 | 0 | 110.5 | T238 K239 A245 N246 | T238-I242 WeakPolarHBondContact O-CG1 3.38Å; T238-I242 PolarHBondContact O-N 3.15Å; K239-I242 PolarHBondContact O-N 3.47Å; I242-A245 PolarHBondContact O-N 3.41Å; I242-N246 WeakPolarHBondContact O-CB 3.43Å; I242-N246 VanDerWaalsContact O-CG 3.31Å; I242-N246 PolarHBondContact O-N 3.2Å; I242-N246 PolarHBondContact O-ND2 3.22Å; I242-N246 VanDerWaalsContact O-ND2 3.11Å |
| 243 | E | 86.4 | Confident | 84 | Confident | 131 Ų | 131 | 74.4 Ų | 74.4 | 61% | 0.612 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.9 | -44.4 | 175.7 | -74.2 | 171.4 | -161.3 | 0 | 0 | 112.1 | K239 E240 N246 S247 | K239-E243 WeakPolarHBondContact O-CG 3.26Å; K239-E243 PolarHBondContact O-N 2.96Å; E240-E243 PolarHBondContact O-N 2.86Å; E243-N246 PolarHBondContact O-N 3.45Å; E243-S247 WeakPolarHBondContact O-CB 3.48Å; E243-S247 PolarHBondContact O-N 2.96Å |
| 244 | K | 86.2 | Confident | 82.4 | Confident | 94 Ų | 94 | 75 Ų | 75 | 41% | 0.409 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 173 | -74.5 | 166.8 | -176.7 | 161.7 | 0 | 111.8 | L220 E240 D241 S247 F248 | L220-K244 HydrophobicContact CD2-CB 3.83Å; E240-K244 VanDerWaalsContact CD-NZ 3.26Å; E240-K244 HydrophobicContact CG-CD 4.41Å; E240-K244 WeakPolarHBondContact O-CB 3.38Å; E240-K244 VanDerWaalsContact O-CG 3.24Å; E240-K244 WeakPolarHBondContact O-CG 3.38Å; E240-K244 PolarHBondContact O-N 3.08Å; E240-K244 WeakPolarHBondContact OE1-CE 3.48Å; E240-K244 IonicContact OE1-NZ 3.02Å; E240-K244 PolarHBondContact OE1-NZ 3Å; D241-K244 PolarHBondContact O-N 2.67Å; K244-S247 PolarHBondContact O-N 2.82Å; K244-F248 VanDerWaalsContact O-CB 3.28Å; K244-F248 WeakPolarHBondContact O-CB 3.46Å; K244-F248 PolarHBondContact O-N 2.89Å |
| 245 | A | 85.5 | Confident | 80.3 | Confident | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.008 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65 | -42.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L220 L223 D241 I242 F248 I249 | L220-A245 HydrophobicContact CB-CB 4.5Å; L220-A245 HydrophobicContact CD2-CB 4.21Å; L223-A245 HydrophobicContact CB-CB 3.39Å; L223-A245 HydrophobicContact CD1-CB 4.06Å; L223-A245 HydrophobicContact CG-CB 4.37Å; D241-A245 VanDerWaalsContact O-CB 3.3Å; D241-A245 WeakPolarHBondContact O-CB 3.4Å; D241-A245 PolarHBondContact O-N 2.8Å; I242-A245 PolarHBondContact O-N 3.41Å; A245-F248 PolarHBondContact O-N 3.08Å; A245-I249 PolarHBondContact O-N 3.02Å |
| 246 | N | 83.9 | Confident | 77.7 | Confident | 80 Ų | 80 | 81.6 Ų | 81.6 | 43% | 0.428 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 175.4 | -77.8 | -37.5 | 0 | 0 | 0 | 111.6 | I242 E243 S250 | I242-N246 WeakPolarHBondContact O-CB 3.43Å; I242-N246 VanDerWaalsContact O-CG 3.31Å; I242-N246 PolarHBondContact O-N 3.2Å; I242-N246 PolarHBondContact O-ND2 3.22Å; I242-N246 VanDerWaalsContact O-ND2 3.11Å; E243-N246 PolarHBondContact O-N 3.45Å; N246-S250 VanDerWaalsContact O-CB 3.29Å; N246-S250 WeakPolarHBondContact O-CB 3.38Å; N246-S250 PolarHBondContact O-N 3.05Å |
| 247 | S | 83.1 | Confident | 75.3 | Confident | 84 Ų | 84 | 75.8 Ų | 75.8 | 59% | 0.587 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -59.1 | -51.7 | 173.6 | -175.3 | 0 | 0 | 0 | 0 | 111.4 | E243 K244 I249 S250 G251 | E243-S247 WeakPolarHBondContact O-CB 3.48Å; E243-S247 PolarHBondContact O-N 2.96Å; K244-S247 PolarHBondContact O-N 2.82Å; S247-I249 PolarHBondContact O-N 2.97Å; S247-S250 PolarHBondContact O-N 2.87Å; S247-S250 PolarHBondContact O-OG 2.98Å; S247-G251 PolarHBondContact O-N 3.48Å |
| 248 | F | 82.6 | Confident | 73 | Confident | 63 Ų | 63 | 79.4 Ų | 79.4 | 28% | 0.276 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -56.2 | -52.7 | 178.4 | -179.2 | -102.7 | 0 | 0 | 0 | 112.4 | D217 L220 F221 K244 A245 S250 G251 I252 | D217-F248 HydrophobicContact CB-CE2 4.33Å; D217-F248 HydrophobicContact CB-CZ 3.98Å; L220-F248 HydrophobicContact CB-CB 4.23Å; L220-F248 HydrophobicContact CB-CD1 3.71Å; L220-F248 HydrophobicContact CB-CE1 4.17Å; L220-F248 HydrophobicContact CB-CG 3.96Å; L220-F248 HydrophobicContact CD1-CB 4.37Å; L220-F248 HydrophobicContact CD1-CD2 4.29Å; L220-F248 HydrophobicContact CD1-CG 4.26Å; F221-F248 HydrophobicContact CB-CE1 4.2Å; K244-F248 VanDerWaalsContact O-CB 3.28Å; K244-F248 WeakPolarHBondContact O-CB 3.46Å; K244-F248 PolarHBondContact O-N 2.89Å; A245-F248 PolarHBondContact O-N 3.08Å; F248-S250 VanDerWaalsContact C-N 3.35Å; F248-S250 PolarHBondContact O-N 3.02Å; F248-G251 PolarHBondContact O-N 2.8Å; F248-G251 VanDerWaalsContact O-N 3.16Å; F248-I252 HydrophobicContact CD1-CD1 3.91Å; F248-I252 HydrophobicContact CE1-CD1 3.43Å; F248-I252 VanDerWaalsContact CE1-CD1 3.43Å; F248-I252 HydrophobicContact CZ-CD1 3.83Å; F248-I252 PolarHBondContact O-N 2.9Å |
| 249 | I | 78.3 | Confident | 70.2 | Confident | 5 Ų | 5 | 82.3 Ų | 82.3 | 3% | 0.026 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -75.3 | -22.6 | -176.5 | -149.3 | 169.6 | 0 | 0 | 0 | 113.3 | G224 W225 A245 S247 G251 I252 K253 | G224-I249 WeakPolarHBondContact O-CD1 3.17Å; W225-I249 HydrophobicContact CD2-CD1 3.97Å; W225-I249 HydrophobicContact CG-CD1 3.98Å; W225-I249 HydrophobicContact CZ2-CD1 4.35Å; A245-I249 PolarHBondContact O-N 3.02Å; S247-I249 PolarHBondContact O-N 2.97Å; I249-G251 PolarHBondContact O-N 2.94Å; I249-I252 HydrophobicContact CG1-CB 4.37Å; I249-I252 PolarHBondContact O-N 2.97Å; I249-K253 HydrophobicContact CD1-CD 4.43Å; I249-K253 HydrophobicContact CG1-CD 4.11Å; I249-K253 HydrophobicContact CG1-CG 4.21Å; I249-K253 HydrophobicContact CG2-CD 4.31Å; I249-K253 WeakPolarHBondContact O-CB 3.38Å; I249-K253 WeakPolarHBondContact O-CG 3.41Å; I249-K253 PolarHBondContact O-N 3.43Å |
| 250 | S | 77 | Confident | 67.6 | Low | 76 Ų | 76 | 77.2 Ų | 77.2 | 53% | 0.531 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.4 | -33.9 | 169.7 | 78.7 | 0 | 0 | 0 | 0 | 111.7 | N246 S247 F248 S254 | N246-S250 VanDerWaalsContact O-CB 3.29Å; N246-S250 WeakPolarHBondContact O-CB 3.38Å; N246-S250 PolarHBondContact O-N 3.05Å; S247-S250 PolarHBondContact O-N 2.87Å; S247-S250 PolarHBondContact O-OG 2.98Å; F248-S250 VanDerWaalsContact C-N 3.35Å; F248-S250 PolarHBondContact O-N 3.02Å; S250-S254 PolarHBondContact O-N 3.15Å |
| 251 | G | 75.9 | Confident | 64.9 | Low | 34 Ų | 34 | 76.5 Ų | 76.5 | 35% | 0.351 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S247 F248 I249 S254 F257 | S247-G251 PolarHBondContact O-N 3.48Å; F248-G251 PolarHBondContact O-N 2.8Å; F248-G251 VanDerWaalsContact O-N 3.16Å; I249-G251 PolarHBondContact O-N 2.94Å; G251-S254 WeakPolarHBondContact O-CB 3.41Å; G251-S254 PolarHBondContact O-N 2.98Å; G251-F257 WeakPolarHBondContact O-CB 3.45Å |
| 252 | I | 71.8 | Confident | 62.4 | Low | 26 Ų | 26 | 78.2 Ų | 78.2 | 13% | 0.133 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -71.9 | -42.4 | -179.5 | -61.2 | 174.8 | 0 | 0 | 0 | 112 | F221 F248 I249 S254 W261 | F221-I252 HydrophobicContact CD2-CD1 4.14Å; F248-I252 HydrophobicContact CD1-CD1 3.91Å; F248-I252 HydrophobicContact CE1-CD1 3.43Å; F248-I252 VanDerWaalsContact CE1-CD1 3.43Å; F248-I252 HydrophobicContact CZ-CD1 3.83Å; F248-I252 PolarHBondContact O-N 2.9Å; I249-I252 HydrophobicContact CG1-CB 4.37Å; I249-I252 PolarHBondContact O-N 2.97Å; I252-S254 PolarHBondContact O-N 2.81Å; I252-W261 HydrophobicContact CG2-CH2 4.48Å |
| 253 | K | 64.2 | Low | 59.6 | Low | 98 Ų | 98 | 82.9 Ų | 82.9 | 43% | 0.426 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -70.2 | -9.8 | 176.8 | -72.3 | 170.6 | 178.4 | 168.1 | 0 | 112.6 | G224 I249 | G224-K253 PolarHBondContact O-NZ 2.98Å; I249-K253 HydrophobicContact CD1-CD 4.43Å; I249-K253 HydrophobicContact CG1-CD 4.11Å; I249-K253 HydrophobicContact CG1-CG 4.21Å; I249-K253 HydrophobicContact CG2-CD 4.31Å; I249-K253 WeakPolarHBondContact O-CB 3.38Å; I249-K253 WeakPolarHBondContact O-CG 3.41Å; I249-K253 PolarHBondContact O-N 3.43Å |
| 254 | S | 57.6 | Low | 56.9 | Low | 50 Ų | 50 | 82.1 Ų | 82.1 | 35% | 0.35 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -63.9 | 131.1 | 173 | -175.1 | 0 | 0 | 0 | 0 | 111 | S250 G251 I252 M256 F257 I258 | S250-S254 PolarHBondContact O-N 3.15Å; G251-S254 WeakPolarHBondContact O-CB 3.41Å; G251-S254 PolarHBondContact O-N 2.98Å; I252-S254 PolarHBondContact O-N 2.81Å; S254-M256 PolarHBondContact O-N 3.11Å; S254-F257 PolarHBondContact O-N 3.25Å; S254-I258 PolarHBondContact O-N 3.02Å |
| 255 | P | 46.2 | Very low | 53.9 | Low | 102 Ų | 102 | 86.5 Ų | 86.5 | 66% | 0.662 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -54.4 | -27.3 | -179.3 | -27.9 | 34.7 | 0 | 0 | 0 | 114.6 | F257 Q259 | P255-F257 VanDerWaalsContact C-N 3.32Å; P255-Q259 PolarHBondContact O-N 2.89Å |
| 256 | M | 36.4 | Very low | 51.1 | Low | 161 Ų | 161 | 92.6 Ų | 92.6 | 79% | 0.793 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.7 | -27.7 | 178.8 | -168.4 | 171.6 | 174.9 | 0 | 0 | 112.9 | S254 | S254-M256 PolarHBondContact O-N 3.11Å |
| 257 | F | 41.2 | Very low | 48.2 | Very low | 99 Ų | 99 | 94.8 Ų | 94.8 | 43% | 0.434 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -83.4 | -40.9 | 177.8 | -142.1 | -94.5 | 0 | 0 | 0 | 111.4 | G251 S254 P255 Q259 S260 W261 | G251-F257 WeakPolarHBondContact O-CB 3.45Å; S254-F257 PolarHBondContact O-N 3.25Å; P255-F257 VanDerWaalsContact C-N 3.32Å; F257-Q259 PolarHBondContact O-N 3.27Å; F257-S260 WeakPolarHBondContact O-CB 3.25Å; F257-S260 PolarHBondContact O-N 2.96Å; F257-S260 PolarHBondContact O-OG 3.47Å; F257-W261 AromaticContact CE1-NE1 3.86Å |
| 258 | I | 40.5 | Very low | 45.4 | Very low | 99 Ų | 99 | 100.5 Ų | 100.5 | 51% | 0.508 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -56.7 | -36.8 | 177.7 | -59.2 | 174.9 | 0 | 0 | 0 | 111.7 | S254 S260 W261 S262 | S254-I258 PolarHBondContact O-N 3.02Å; I258-S260 VanDerWaalsContact C-N 3.3Å; I258-S260 PolarHBondContact O-N 2.79Å; I258-W261 PolarHBondContact O-N 2.94Å; I258-S262 PolarHBondContact O-N 3.27Å |
| 259 | Q | 31.1 | Very low | 42.7 | Very low | 131 Ų | 131 | 101 Ų | 101 | 61% | 0.612 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.8 | -36.7 | 174.3 | -78.5 | -172.5 | -19.8 | 0 | 0 | 113.3 | P255 F257 W261 S262 | P255-Q259 PolarHBondContact O-N 2.89Å; F257-Q259 PolarHBondContact O-N 3.27Å; Q259-W261 VanDerWaalsContact C-N 3.35Å; Q259-W261 PolarHBondContact O-N 2.99Å; Q259-S262 PolarHBondContact O-N 3.22Å; Q259-S262 PolarHBondContact O-OG 3.19Å |
| 260 | S | 30.7 | Very low | 40.1 | Very low | 65 Ų | 65 | 108.4 Ų | 108.4 | 46% | 0.455 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.5 | -36.4 | -177.8 | 72.7 | 0 | 0 | 0 | 0 | 112.9 | F257 I258 S262 | F257-S260 WeakPolarHBondContact O-CB 3.25Å; F257-S260 PolarHBondContact O-N 2.96Å; F257-S260 PolarHBondContact O-OG 3.47Å; I258-S260 VanDerWaalsContact C-N 3.3Å; I258-S260 PolarHBondContact O-N 2.79Å; S260-S262 VanDerWaalsContact C-N 3.34Å |
| 261 | W | 31.8 | Very low | 37.7 | Very low | 98 Ų | 98 | 109.8 Ų | 109.8 | 37% | 0.371 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -72.7 | -27.9 | 179.5 | -71.3 | 14.4 | 0 | 0 | 0 | 112.6 | L189 I252 F257 I258 Q259 Q263 | L189-W261 HydrophobicContact CD1-CE3 4.47Å; L189-W261 HydrophobicContact CD1-CZ3 3.94Å; L189-W261 HydrophobicContact CD2-CH2 3.66Å; L189-W261 HydrophobicContact CD2-CZ3 3.48Å; L189-W261 VanDerWaalsContact CD2-CZ3 3.48Å; L189-W261 HydrophobicContact CG-CZ3 4.39Å; I252-W261 HydrophobicContact CG2-CH2 4.48Å; F257-W261 AromaticContact CE1-NE1 3.86Å; I258-W261 PolarHBondContact O-N 2.94Å; Q259-W261 VanDerWaalsContact C-N 3.35Å; Q259-W261 PolarHBondContact O-N 2.99Å; W261-Q263 VanDerWaalsContact C-N 3.3Å; W261-Q263 PolarHBondContact O-N 3.17Å |
| 262 | S | 33.8 | Very low | 35.3 | Very low | 86 Ų | 86 | 115.8 Ų | 115.8 | 60% | 0.601 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -12.3 | 178.3 | 70.7 | 0 | 0 | 0 | 0 | 115.5 | I258 Q259 S260 | I258-S262 PolarHBondContact O-N 3.27Å; Q259-S262 PolarHBondContact O-N 3.22Å; Q259-S262 PolarHBondContact O-OG 3.19Å; S260-S262 VanDerWaalsContact C-N 3.34Å |
| 263 | Q | 27.5 | Very low | 33.1 | Very low | 158 Ų | 158 | 120.7 Ų | 120.7 | 74% | 0.738 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 3.7 | -171.9 | -69 | -160.5 | 9.4 | 0 | 0 | 115.8 | W261 K265 | W261-Q263 VanDerWaalsContact C-N 3.3Å; W261-Q263 PolarHBondContact O-N 3.17Å; Q263-K265 PolarHBondContact O-N 3.15Å |
| 264 | N | 28.8 | Very low | 31.1 | Very low | 115 Ų | 115 | 122.1 Ų | 122.1 | 62% | 0.615 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -75.1 | 92.6 | 169.4 | -87.8 | -10.6 | 0 | 0 | 0 | 110.9 | ||
| 265 | K | 25 | Very low | 29.5 | Very low | 186 Ų | 186 | 128 Ų | 128 | 81% | 0.809 | 67% | 0.674 | S | S | * | * | trans | 25.1 | 129 | 166 | -70.7 | 178 | -177.7 | 167 | 0 | 119 | Q263 C267 | Q263-K265 PolarHBondContact O-N 3.15Å; K265-C267 PolarHBondContact O-N 3.32Å; K265-C267 VanDerWaalsContact O-N 3.08Å | ||
| 266 | P | 26 | Very low | 28.5 | Very low | 129 Ų | 129 | 126 Ų | 126 | 84% | 0.838 | 67% | 0.673 | S | S | * | * | trans | -64.6 | 114.2 | -178.5 | 28.5 | -35.1 | 0 | 0 | 0 | 112.2 | ||||
| 267 | C | 23.4 | Very low | 27.9 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 85% | 0.851 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 138.8 | 161.3 | -65.2 | 0 | 0 | 0 | 0 | 109.4 | K265 | K265-C267 PolarHBondContact O-N 3.32Å; K265-C267 VanDerWaalsContact O-N 3.08Å |
| 268 | K | 24.8 | Very low | 27.1 | Very low | 203 Ų | 203 | 128.4 Ų | 128.4 | 88% | 0.883 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 139.5 | 176.8 | -71.5 | -179.6 | 177.1 | 178.9 | 0 | 109.9 | N270 | K268-N270 PolarHBondContact O-N 3.28Š|
| 269 | S | 24.1 | Very low | 26.3 | Very low | 75 Ų | 75 | 130.7 Ų | 130.7 | 52% | 0.524 | 71% | 0.709 | S | S | . | * | P | Polyproline II helix | trans | -55 | 125.7 | -177.3 | 27.8 | 0 | 0 | 0 | 0 | 112.9 | E748 | S269-E748 VanDerWaalsContact CB-OE1 3.26Å; S269-E748 WeakPolarHBondContact CB-OE1 3.33Å; S269-E748 PolarHBondContact OG-OE1 3.41Å |
| 270 | N | 25.5 | Very low | 25.9 | Very low | 159 Ų | 159 | 136 Ų | 136 | 85% | 0.85 | 72% | 0.723 | S | S | * | * | trans | -107.3 | 141.6 | 149.3 | -89.1 | -10.6 | 0 | 0 | 0 | 107.7 | K268 | K268-N270 PolarHBondContact O-N 3.28Š| ||
| 271 | Q | 24.6 | Very low | 25.6 | Very low | 105 Ų | 105 | 140 Ų | 140 | 49% | 0.491 | 74% | 0.74 | S | S | . | * | trans | -102.5 | 103.1 | -169.1 | -57.9 | 175.1 | -79.2 | 0 | 0 | 111.3 | I273 E748 | Q271-I273 HydrophobicContact CB-CD1 4.34Å; Q271-I273 HydrophobicContact CB-CG1 4.41Å; Q271-E748 HydrophobicContact CG-CG 4.4Å | ||
| 272 | D | 26.7 | Very low | 25.1 | Very low | 160 Ų | 160 | 146 Ų | 146 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | -136.1 | 86.5 | 164.2 | -69.6 | -58.9 | 0 | 0 | 0 | 106.2 | ||||
| 273 | I | 25.2 | Very low | 24.7 | Very low | 129 Ų | 129 | 148.7 Ų | 148.7 | 66% | 0.662 | 78% | 0.777 | S | S | * | * | 64.3 | 83.4 | 65.9 | -50.3 | -176.6 | 0 | 0 | 0 | 113.5 | Q271 | Q271-I273 HydrophobicContact CB-CD1 4.34Å; Q271-I273 HydrophobicContact CB-CG1 4.41Å | |||
| 274 | N | 22.7 | Very low | 24.5 | Very low | 128 Ų | 128 | 147.4 Ų | 147.4 | 68% | 0.684 | 77% | 0.77 | S | S | * | * | trans | 52.8 | 101.9 | 137.2 | -60.5 | -17.6 | 0 | 0 | 0 | 119.5 | ||||
| 275 | N | 24.7 | Very low | 24.5 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 93% | 0.925 | 76% | 0.758 | S | S | * | * | -158.5 | 137.3 | 125.7 | -100.9 | -34.6 | 0 | 0 | 0 | 112 | |||||
| 276 | G | 23.6 | Very low | 24.4 | Very low | 62 Ų | 62 | 143.2 Ų | 143.2 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 82.3 | 114.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116 | V278 | G276-V278 PolarHBondContact O-N 3.5Š|
| 277 | I | 24.1 | Very low | 24.4 | Very low | 184 Ų | 184 | 139.2 Ų | 139.2 | 94% | 0.944 | 74% | 0.741 | S | S | * | * | trans | -53.8 | 96.3 | 174.1 | -58.5 | 161.2 | 0 | 0 | 0 | 110.9 | ||||
| 278 | V | 24.7 | Very low | 24.5 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 76% | 0.758 | 74% | 0.74 | S | S | * | * | trans | -93.6 | 134.8 | 170.5 | 179.4 | 0 | 0 | 0 | 0 | 110 | G276 R280 | G276-V278 PolarHBondContact O-N 3.5Å; V278-R280 PolarHBondContact O-N 3.12Å | ||
| 279 | N | 23.7 | Very low | 24.5 | Very low | 147 Ų | 147 | 137.8 Ų | 137.8 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | trans | -47.7 | 124 | 176.4 | -106.2 | -35.4 | 0 | 0 | 0 | 112 | N281 | N279-N281 VanDerWaalsContact C-N 3.28Å; N279-N281 PolarHBondContact O-N 3.13Å | ||
| 280 | R | 22.6 | Very low | 24.5 | Very low | 242 Ų | 242 | 141.1 Ų | 141.1 | 91% | 0.913 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -67.1 | 85.5 | 168.1 | -71.2 | -179.6 | 179.3 | 164.7 | -0.5 | 109.6 | V278 | V278-R280 PolarHBondContact O-N 3.12Š|
| 281 | N | 23.9 | Very low | 24.5 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | trans | -169.6 | 27 | 160.5 | -97.2 | -15.1 | 0 | 0 | 0 | 114.3 | N279 | N279-N281 VanDerWaalsContact C-N 3.28Å; N279-N281 PolarHBondContact O-N 3.13Å | ||
| 282 | Y | 22 | Very low | 24.5 | Very low | 224 Ų | 224 | 141.4 Ų | 141.4 | 88% | 0.878 | 75% | 0.752 | S | S | * | * | trans | -130.7 | 106.3 | 169.6 | -80.5 | -88 | 0 | 0 | 0 | 110.1 | ||||
| 283 | V | 24.6 | Very low | 24.3 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | -96.6 | 107.3 | 174.5 | 177.6 | 0 | 0 | 0 | 0 | 107.9 | P285 | V283-P285 WeakPolarHBondContact O-CD 3.41Š| ||
| 284 | H | 22.7 | Very low | 24.3 | Very low | 132 Ų | 132 | 145.7 Ų | 145.7 | 61% | 0.611 | 76% | 0.764 | S | S | * | * | trans | -79 | 121.9 | -179.8 | -144.1 | -59.1 | 0 | 0 | 0 | 110.2 | ||||
| 285 | P | 29.2 | Very low | 24.4 | Very low | 56 Ų | 56 | 144.6 Ų | 144.6 | 36% | 0.364 | 77% | 0.773 | S | S | . | * | trans | -92.9 | 130.1 | 169.4 | 3.1 | 17.4 | 0 | 0 | 0 | 109.9 | V283 | V283-P285 WeakPolarHBondContact O-CD 3.41Š| ||
| 286 | I | 23.4 | Very low | 24.3 | Very low | 157 Ų | 157 | 143 Ų | 143 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | trans | -111.8 | 134.7 | 176.6 | -64.5 | 170.8 | 0 | 0 | 0 | 108.8 | ||||
| 287 | G | 25.7 | Very low | 24.4 | Very low | 45 Ų | 45 | 146.6 Ų | 146.6 | 46% | 0.464 | 77% | 0.768 | S | S | . | * | trans | 80.5 | 98.1 | 148.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 288 | T | 25.1 | Very low | 24.5 | Very low | 136 Ų | 136 | 146.9 Ų | 146.9 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | 31.9 | 117.3 | 128.7 | 56.2 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 289 | E | 25.6 | Very low | 24.6 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | -172.5 | 163.7 | 106.7 | -106.6 | -174.8 | 175.8 | 0 | 0 | 112.6 | |||||
| 290 | L | 24.5 | Very low | 24.6 | Very low | 145 Ų | 145 | 151 Ų | 151 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -60.6 | 139.8 | -163 | -70.9 | 65.4 | 0 | 0 | 0 | 115.2 | T292 | L290-T292 HydrophobicContact CD2-CG2 4.14Š| ||
| 291 | I | 25.3 | Very low | 24.7 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | -119.4 | 96.2 | 144.1 | -57 | 179.3 | 0 | 0 | 0 | 107.4 | ||||
| 292 | T | 24.2 | Very low | 24.7 | Very low | 111 Ų | 111 | 148.1 Ų | 148.1 | 68% | 0.681 | 77% | 0.765 | S | S | * | * | trans | -66.2 | 132.5 | 170.1 | 38 | 0 | 0 | 0 | 0 | 110.1 | L290 E294 | L290-T292 HydrophobicContact CD2-CG2 4.14Å; T292-E294 PolarHBondContact O-N 3.42Å | ||
| 293 | H | 23.7 | Very low | 25 | Very low | 197 Ų | 197 | 145 Ų | 145 | 91% | 0.912 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -66.7 | 87.1 | 178 | -84.9 | -62.6 | 0 | 0 | 0 | 112.3 | ||
| 294 | E | 23.8 | Very low | 25 | Very low | 182 Ų | 182 | 144.9 Ų | 144.9 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | trans | -153.7 | 64.5 | 161.6 | -127.5 | 173.2 | -159.6 | 0 | 0 | 113.1 | T292 | T292-E294 PolarHBondContact O-N 3.42Š| ||
| 295 | A | 24.6 | Very low | 25.3 | Very low | 105 Ų | 105 | 147.8 Ų | 147.8 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | trans | -135.1 | 61.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 296 | I | 24 | Very low | 25.1 | Very low | 141 Ų | 141 | 149.7 Ų | 149.7 | 72% | 0.723 | 78% | 0.782 | S | S | * | * | trans | -68.9 | 131.4 | 175.3 | -69.5 | 173.3 | 0 | 0 | 0 | 110.1 | ||||
| 297 | N | 24.4 | Very low | 25.3 | Very low | 137 Ų | 137 | 153.8 Ų | 153.8 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | 51.3 | 91.6 | 161.9 | -64 | -27.5 | 0 | 0 | 0 | 118.5 | ||||
| 298 | H | 26.4 | Very low | 25.3 | Very low | 189 Ų | 189 | 156.4 Ų | 156.4 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | trans | -130.2 | 123.6 | 138.1 | -91.6 | -73.4 | 0 | 0 | 0 | 111.7 | F300 | H298-F300 PolarHBondContact O-N 3.13Š| ||
| 299 | N | 26.9 | Very low | 25.3 | Very low | 159 Ų | 159 | 158.1 Ų | 158.1 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -59.4 | 129.9 | -171.8 | -72.6 | -61.8 | 0 | 0 | 0 | 113.2 | P301 | N299-P301 VanDerWaalsContact O-CD 3.3Å; N299-P301 WeakPolarHBondContact O-CD 3.12Å | ||
| 300 | F | 23.2 | Very low | 25.3 | Very low | 200 Ų | 200 | 155.3 Ų | 155.3 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -61.5 | 120.9 | 167.4 | -77.2 | -91.6 | 0 | 0 | 0 | 111.5 | H298 R302 | H298-F300 PolarHBondContact O-N 3.13Å; F300-R302 PolarHBondContact O-N 3.44Å | ||
| 301 | P | 25.9 | Very low | 25.4 | Very low | 113 Ų | 113 | 153.3 Ų | 153.3 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -75.4 | 103.7 | 160 | 30.6 | -29.4 | 0 | 0 | 0 | 108.5 | N299 N303 | N299-P301 VanDerWaalsContact O-CD 3.3Å; N299-P301 WeakPolarHBondContact O-CD 3.12Å; P301-N303 PolarHBondContact O-N 3.3Å; P301-N303 VanDerWaalsContact O-N 3.16Å | ||
| 302 | R | 24.3 | Very low | 25.3 | Very low | 218 Ų | 218 | 152.2 Ų | 152.2 | 82% | 0.823 | 80% | 0.802 | S | S | * | * | trans | -55.5 | 119.1 | 167.9 | -67.8 | 178.9 | -179.4 | 174.6 | 0.1 | 109.1 | F300 | F300-R302 PolarHBondContact O-N 3.44Š| ||
| 303 | N | 26.8 | Very low | 25.4 | Very low | 159 Ų | 159 | 153.2 Ų | 153.2 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -129.8 | 118 | 160.3 | -99.8 | -32.4 | 0 | 0 | 0 | 110.5 | P301 | P301-N303 PolarHBondContact O-N 3.3Å; P301-N303 VanDerWaalsContact O-N 3.16Å | ||
| 304 | H | 25.9 | Very low | 25.4 | Very low | 140 Ų | 140 | 153.7 Ų | 153.7 | 65% | 0.648 | 80% | 0.802 | S | S | * | * | trans | -80.1 | 115.3 | -171.4 | -67.5 | -105 | 0 | 0 | 0 | 111.2 | ||||
| 305 | H | 28.4 | Very low | 25.5 | Very low | 192 Ų | 192 | 154 Ų | 154 | 89% | 0.889 | 81% | 0.809 | S | S | * | * | trans | -143.1 | 52.2 | 153 | -78.1 | -46.5 | 0 | 0 | 0 | 111.8 | R307 | H305-R307 PolarHBondContact O-N 3.4Š| ||
| 306 | S | 25.2 | Very low | 25.4 | Very low | 96 Ų | 96 | 151.9 Ų | 151.9 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | trans | -66.7 | 97.8 | 163.8 | 53.6 | 0 | 0 | 0 | 0 | 109.7 | S308 | S306-S308 PolarHBondContact O-N 3.4Å; S306-S308 VanDerWaalsContact O-N 3.09Å | ||
| 307 | R | 26.6 | Very low | 25.5 | Very low | 244 Ų | 244 | 151.3 Ų | 151.3 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -68.8 | 100.6 | 160.8 | -85.1 | -175.9 | 171.9 | 177.5 | -2 | 107.7 | H305 I309 | H305-R307 PolarHBondContact O-N 3.4Å; R307-I309 PolarHBondContact O-N 3.32Å | ||
| 308 | S | 26.7 | Very low | 25.7 | Very low | 100 Ų | 100 | 154 Ų | 154 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | trans | -62.3 | 105.8 | -179.3 | -50.4 | 0 | 0 | 0 | 0 | 111.1 | S306 S310 | S306-S308 PolarHBondContact O-N 3.4Å; S306-S308 VanDerWaalsContact O-N 3.09Å; S308-S310 VanDerWaalsContact C-N 3.31Å; S308-S310 PolarHBondContact O-N 3.41Å; S308-S310 VanDerWaalsContact O-N 3.09Å | ||
| 309 | I | 26 | Very low | 25.6 | Very low | 171 Ų | 171 | 153.4 Ų | 153.4 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -76.5 | 91.2 | 161.8 | -62.3 | 177.4 | 0 | 0 | 0 | 106.6 | R307 S311 | R307-I309 PolarHBondContact O-N 3.32Å; I309-S311 PolarHBondContact O-N 3.48Å | ||
| 310 | S | 25.4 | Very low | 25.5 | Very low | 105 Ų | 105 | 153.5 Ų | 153.5 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | -87.4 | 96.4 | 179.1 | 54.6 | 0 | 0 | 0 | 0 | 110.9 | S308 | S308-S310 VanDerWaalsContact C-N 3.31Å; S308-S310 PolarHBondContact O-N 3.41Å; S308-S310 VanDerWaalsContact O-N 3.09Å | ||
| 311 | S | 26.1 | Very low | 25.6 | Very low | 103 Ų | 103 | 151.9 Ų | 151.9 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | 173.8 | 65.6 | 150.3 | 40.4 | 0 | 0 | 0 | 0 | 113.2 | I309 | I309-S311 PolarHBondContact O-N 3.48Š| ||
| 312 | C | 22.1 | Very low | 25.6 | Very low | 135 Ų | 135 | 153 Ų | 153 | 91% | 0.912 | 80% | 0.796 | S | S | * | * | trans | -152.7 | 45 | 159.3 | -109.8 | 0 | 0 | 0 | 0 | 111.1 | R314 | C312-R314 PolarHBondContact O-N 2.93Š| ||
| 313 | T | 26.4 | Very low | 25.6 | Very low | 132 Ų | 132 | 152.7 Ų | 152.7 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -79.5 | 100.2 | 173.6 | 37.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 314 | R | 25.3 | Very low | 25.5 | Very low | 206 Ų | 206 | 149.6 Ų | 149.6 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | 59.4 | 95.7 | 131 | -68.5 | 178.1 | 149.9 | -164.6 | -8.9 | 117.9 | C312 S316 | C312-R314 PolarHBondContact O-N 2.93Å; R314-S316 WeakPolarHBondContact CB-OG 3.12Å; R314-S316 WeakPolarHBondContact CD-OG 3.34Å; R314-S316 WeakPolarHBondContact CG-OG 3.43Å; R314-S316 PolarHBondContact NE-OG 3.43Å; R314-S316 PolarHBondContact O-N 3.49Å | ||
| 315 | L | 24.9 | Very low | 25.2 | Very low | 190 Ų | 190 | 149.1 Ų | 149.1 | 100% | 0.995 | 81% | 0.809 | S | S | * | * | -73 | 87.2 | 125.2 | -76.1 | 168.1 | 0 | 0 | 0 | 107.6 | |||||
| 316 | S | 23.1 | Very low | 25 | Very low | 59 Ų | 59 | 149.1 Ų | 149.1 | 41% | 0.413 | 81% | 0.809 | S | S | . | * | trans | -148.4 | 57.6 | 174.7 | 82.8 | 0 | 0 | 0 | 0 | 111.9 | R314 | R314-S316 WeakPolarHBondContact CB-OG 3.12Å; R314-S316 WeakPolarHBondContact CD-OG 3.34Å; R314-S316 WeakPolarHBondContact CG-OG 3.43Å; R314-S316 PolarHBondContact NE-OG 3.43Å; R314-S316 PolarHBondContact O-N 3.49Å | ||
| 317 | T | 26.2 | Very low | 24.8 | Very low | 129 Ų | 129 | 153 Ų | 153 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | -145.6 | 75.2 | 172.5 | 49.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 318 | E | 27.3 | Very low | 24.6 | Very low | 194 Ų | 194 | 148.4 Ų | 148.4 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -160.9 | -22.3 | 161.2 | -118.3 | 152 | -146.1 | 0 | 0 | 115 | N320 | E318-N320 PolarHBondContact O-N 2.89Š|
| 319 | L | 25.8 | Very low | 24.5 | Very low | 177 Ų | 177 | 149.5 Ų | 149.5 | 93% | 0.927 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -101.2 | 57.4 | 174.3 | -67.9 | 174.4 | 0 | 0 | 0 | 113.1 | ||
| 320 | N | 24.1 | Very low | 24.4 | Very low | 160 Ų | 160 | 145.8 Ų | 145.8 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -159.8 | 64.5 | 164.1 | -130.4 | -10.4 | 0 | 0 | 0 | 113.3 | E318 | E318-N320 PolarHBondContact O-N 2.89Š| ||
| 321 | Q | 25.2 | Very low | 24.3 | Very low | 167 Ų | 167 | 146 Ų | 146 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -136.1 | 114.3 | 156.8 | -73.2 | -163.9 | -4.8 | 0 | 0 | 110.8 | ||
| 322 | N | 25.6 | Very low | 24.3 | Very low | 135 Ų | 135 | 148.4 Ų | 148.4 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | 59.1 | 83.6 | 144.3 | -50.5 | -14.3 | 0 | 0 | 0 | 118.3 | ||||
| 323 | F | 25 | Very low | 24.4 | Very low | 212 Ų | 212 | 147.2 Ų | 147.2 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | -124.5 | 94.3 | 132.9 | -77.1 | -76.5 | 0 | 0 | 0 | 108.4 | ||||
| 324 | A | 24.9 | Very low | 24.3 | Very low | 95 Ų | 95 | 147 Ų | 147 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -74.2 | 139 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | E326 | A324-E326 PolarHBondContact O-N 2.88Š| ||
| 325 | C | 19.2 | Very low | 24.3 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | trans | -68.1 | 121 | 174 | -48.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 326 | E | 23.5 | Very low | 24.3 | Very low | 191 Ų | 191 | 138.1 Ų | 138.1 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | -122.8 | 127.6 | 150 | -76.9 | -173.2 | 155.3 | 0 | 0 | 107.5 | A324 | A324-E326 PolarHBondContact O-N 2.88Š| ||
| 327 | E | 20.7 | Very low | 24.3 | Very low | 179 Ų | 179 | 142.6 Ų | 142.6 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -69.5 | 133.2 | 173 | -61.9 | 158.8 | 130.7 | 0 | 0 | 108.1 | ||||
| 328 | D | 22.8 | Very low | 24.3 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | 171 | 123.9 | 123.1 | -90.4 | -25.4 | 0 | 0 | 0 | 113.6 | |||||
| 329 | V | 24.7 | Very low | 24.2 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 75% | 0.745 | 80% | 0.798 | S | S | * | * | trans | 56 | 134.6 | 132.7 | -173.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 330 | S | 24.1 | Very low | 24.3 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | trans | 77.2 | 101.8 | 160.5 | 63.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 331 | S | 23.2 | Very low | 24.4 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | 21.1 | 108 | 129.4 | 42.9 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 332 | N | 26.2 | Very low | 24.3 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -142.4 | 135.5 | 142.8 | -95 | -62.1 | 0 | 0 | 0 | 110.7 | V334 | N332-V334 PolarHBondContact O-N 3.16Š| ||
| 333 | S | 24.1 | Very low | 24.3 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -59.7 | 118.8 | -176.9 | 36.6 | 0 | 0 | 0 | 0 | 112.6 | S335 | S333-S335 PolarHBondContact O-N 3.2Š| ||
| 334 | V | 24.3 | Very low | 24.6 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | trans | -87.6 | 89.9 | 171.4 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | N332 | N332-V334 PolarHBondContact O-N 3.16Š| ||
| 335 | S | 24.5 | Very low | 24.9 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | trans | -73.6 | 132.8 | 170.3 | 45.2 | 0 | 0 | 0 | 0 | 111.6 | S333 | S333-S335 PolarHBondContact O-N 3.2Š| ||
| 336 | S | 25 | Very low | 25.3 | Very low | 114 Ų | 114 | 133 Ų | 133 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | 44.4 | 83.2 | 155.4 | 60.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 337 | I | 24.8 | Very low | 25.6 | Very low | 153 Ų | 153 | 129.3 Ų | 129.3 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -92.9 | 107.4 | 154.1 | -63.3 | -178.1 | 0 | 0 | 0 | 108.2 | ||||
| 338 | S | 26 | Very low | 26.1 | Very low | 98 Ų | 98 | 125.2 Ų | 125.2 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | trans | -64.8 | 142.8 | -178.7 | 50.9 | 0 | 0 | 0 | 0 | 113.1 | K340 | S338-K340 PolarHBondContact O-N 2.94Š| ||
| 339 | N | 24.9 | Very low | 26.4 | Very low | 168 Ų | 168 | 122 Ų | 122 | 90% | 0.898 | 76% | 0.759 | S | S | * | * | trans | -47 | 105.4 | 174.4 | -74.1 | -33.4 | 0 | 0 | 0 | 112.4 | ||||
| 340 | K | 26.6 | Very low | 26.8 | Very low | 191 Ų | 191 | 121.2 Ų | 121.2 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | trans | -83.7 | 116.3 | 161.3 | -80.6 | -174.9 | 176.9 | 176.1 | 0 | 108.9 | S338 C342 | S338-K340 PolarHBondContact O-N 2.94Å; K340-C342 PolarHBondContact O-N 3.41Å; K340-C342 VanDerWaalsContact O-N 3.13Å | ||
| 341 | S | 26 | Very low | 27.1 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | trans | -65.6 | 107 | 177.5 | 44.7 | 0 | 0 | 0 | 0 | 111.5 | A343 | S341-A343 PolarHBondContact O-N 2.92Š| ||
| 342 | C | 23.5 | Very low | 27.4 | Very low | 137 Ų | 137 | 124.5 Ų | 124.5 | 93% | 0.926 | 76% | 0.756 | S | S | * | * | trans | -74.4 | 63.3 | 171.5 | -69.8 | 0 | 0 | 0 | 0 | 112 | K340 | K340-C342 PolarHBondContact O-N 3.41Å; K340-C342 VanDerWaalsContact O-N 3.13Å | ||
| 343 | A | 26.7 | Very low | 27.2 | Very low | 98 Ų | 98 | 122.4 Ų | 122.4 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | -107.1 | 80.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | S341 | S341-A343 PolarHBondContact O-N 2.92Š| ||
| 344 | G | 31.3 | Very low | 27.2 | Very low | 56 Ų | 56 | 126.6 Ų | 126.6 | 58% | 0.577 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -160.4 | -38.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 345 | E | 29.6 | Very low | 27.3 | Very low | 178 Ų | 178 | 126 Ų | 126 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -107.4 | -6.8 | -163.6 | -64 | -165.4 | 147.4 | 0 | 0 | 116.7 | T347 | E345-T347 VanDerWaalsContact C-N 3.32Å; E345-T347 PolarHBondContact O-N 3.06Å |
| 346 | L | 27.9 | Very low | 27.5 | Very low | 159 Ų | 159 | 127.1 Ų | 127.1 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -13.8 | 179.1 | -89.7 | 165.2 | 0 | 0 | 0 | 114.9 | ||
| 347 | T | 30.8 | Very low | 27.7 | Very low | 114 Ų | 114 | 130 Ų | 130 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -13.9 | -176.8 | -23.4 | 0 | 0 | 0 | 0 | 114 | E345 | E345-T347 VanDerWaalsContact C-N 3.32Å; E345-T347 PolarHBondContact O-N 3.06Å |
| 348 | S | 31.2 | Very low | 27.8 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -19.8 | -176.5 | -64.3 | 0 | 0 | 0 | 0 | 114 | ||
| 349 | A | 29.8 | Very low | 27.8 | Very low | 78 Ų | 78 | 135.9 Ų | 135.9 | 65% | 0.645 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -76.4 | -23.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 350 | V | 31.9 | Very low | 27.9 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 66% | 0.655 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -19.4 | -171.7 | -179.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 351 | N | 31 | Very low | 27.8 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 66% | 0.663 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 5.8 | -168.7 | -78.7 | -35.9 | 0 | 0 | 0 | 116.5 | ||
| 352 | N | 28.3 | Very low | 27.8 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -105.2 | 7.7 | 179.9 | -83.3 | -24.7 | 0 | 0 | 0 | 115.2 | ||
| 353 | C | 22.2 | Very low | 27.7 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | -105.4 | 43.4 | 176.5 | -70.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 354 | Y | 24.7 | Very low | 27.8 | Very low | 197 Ų | 197 | 140.5 Ų | 140.5 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -132.9 | 114 | 166 | -72.3 | -76.3 | 0 | 0 | 0 | 110.7 | N356 | Y354-N356 PolarHBondContact O-N 3.06Š|
| 355 | S | 27.1 | Very low | 27.5 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -62.8 | 126.8 | 178.8 | 42.4 | 0 | 0 | 0 | 0 | 111.6 | E357 | S355-E357 VanDerWaalsContact C-N 3.32Å; S355-E357 PolarHBondContact O-N 3.41Å | ||
| 356 | N | 27.3 | Very low | 27.3 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 63% | 0.631 | 77% | 0.771 | S | S | * | * | trans | -79.5 | 71.1 | -179.9 | -74 | -72.7 | 0 | 0 | 0 | 112.5 | Y354 R359 | Y354-N356 PolarHBondContact O-N 3.06Å; N356-R359 PolarHBondContact OD1-NH1 3.24Å | ||
| 357 | E | 29 | Very low | 27.1 | Very low | 175 Ų | 175 | 139.8 Ų | 139.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -127.4 | 144.1 | 154 | -65.2 | -171.7 | 155.1 | 0 | 0 | 107.1 | S355 | S355-E357 VanDerWaalsContact C-N 3.32Å; S355-E357 PolarHBondContact O-N 3.41Å |
| 358 | D | 27.1 | Very low | 27 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | 81.7 | 11.4 | -171.7 | -59.2 | -19.5 | 0 | 0 | 0 | 120 | N360 | D358-N360 VanDerWaalsContact C-N 3.28Å; D358-N360 PolarHBondContact O-N 3.46Å | ||
| 359 | R | 26.4 | Very low | 26.7 | Very low | 208 Ų | 208 | 141.5 Ų | 141.5 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 76.1 | 157.5 | -85.8 | -175.3 | 170.7 | 153.7 | -7 | 111.6 | N356 | N356-R359 PolarHBondContact OD1-NH1 3.24Š|
| 360 | N | 27 | Very low | 26.4 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.3 | 15.5 | 168.6 | -115.6 | -16.1 | 0 | 0 | 0 | 117.6 | D358 | D358-N360 VanDerWaalsContact C-N 3.28Å; D358-N360 PolarHBondContact O-N 3.46Å |
| 361 | H | 25.9 | Very low | 26 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -138 | 158 | 161.8 | -72.3 | -61.3 | 0 | 0 | 0 | 110.9 | ||
| 362 | M | 25.1 | Very low | 25.7 | Very low | 172 Ų | 172 | 145.9 Ų | 145.9 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | 75.4 | 54.6 | -176.2 | -57.5 | -69.9 | 99.1 | 0 | 0 | 117 | Q364 | M362-Q364 PolarHBondContact O-N 3.38Š| ||
| 363 | S | 22.2 | Very low | 25.3 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -86.4 | 89.1 | 153.1 | 44.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 364 | Q | 27.8 | Very low | 25.4 | Very low | 185 Ų | 185 | 146 Ų | 146 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -133.1 | 127.7 | 161.4 | -73.8 | -162.4 | -1.9 | 0 | 0 | 111.9 | M362 | M362-Q364 PolarHBondContact O-N 3.38Š| ||
| 365 | S | 24.6 | Very low | 25.2 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -76.8 | 133.5 | -173.6 | 50.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 366 | I | 26.1 | Very low | 25.1 | Very low | 170 Ų | 170 | 144.1 Ų | 144.1 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -128.5 | 118.2 | 157.4 | -58.1 | -178.6 | 0 | 0 | 0 | 107.8 | ||||
| 367 | S | 24 | Very low | 25.1 | Very low | 97 Ų | 97 | 145 Ų | 145 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | trans | -77.9 | 145 | -179 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 368 | P | 27.9 | Very low | 25 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -79.8 | 128.7 | -173.1 | 31 | -33.3 | 0 | 0 | 0 | 111.7 | ||||
| 369 | S | 25.1 | Very low | 24.9 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -97.4 | 111.6 | 173.2 | -61.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 370 | V | 23.3 | Very low | 24.8 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | trans | -70.5 | 127.3 | 176.8 | 176.2 | 0 | 0 | 0 | 0 | 109.8 | T372 | V370-T372 HydrophobicContact CG1-CG2 4.21Š| ||
| 371 | I | 24.2 | Very low | 24.6 | Very low | 162 Ų | 162 | 142.6 Ų | 142.6 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | trans | -124.6 | 119.5 | 159.3 | -60.9 | -177.2 | 0 | 0 | 0 | 107.6 | ||||
| 372 | T | 23.6 | Very low | 24.5 | Very low | 114 Ų | 114 | 142 Ų | 142 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | trans | -75.5 | 140.3 | -171.8 | 42.4 | 0 | 0 | 0 | 0 | 112.8 | V370 | V370-T372 HydrophobicContact CG1-CG2 4.21Š| ||
| 373 | T | 20.8 | Very low | 24.5 | Very low | 137 Ų | 137 | 139.2 Ų | 139.2 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | -71.6 | 136 | 168.9 | 42.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 374 | T | 24.6 | Very low | 24.7 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -128.9 | 113.9 | 165.2 | 50.6 | 0 | 0 | 0 | 0 | 109 | P376 | T374-P376 WeakPolarHBondContact O-CD 3.29Š| ||
| 375 | N | 21.1 | Very low | 24.6 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | -64.6 | 138.9 | 170.7 | -70.3 | -20.2 | 0 | 0 | 0 | 110.5 | ||||
| 376 | P | 24.9 | Very low | 24.7 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | trans | -125.9 | 132.3 | 135.7 | 34.6 | -26 | 0 | 0 | 0 | 111.1 | T374 | T374-P376 WeakPolarHBondContact O-CD 3.29Š| ||
| 377 | T | 26.8 | Very low | 24.7 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -70.7 | 145.9 | 166.3 | 40.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 378 | P | 26.4 | Very low | 24.8 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -139.8 | 125.4 | 142 | 32.1 | -15.5 | 0 | 0 | 0 | 114.6 | ||||
| 379 | N | 24.3 | Very low | 24.8 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | 4.8 | 131.4 | 153.8 | -61 | -12.1 | 0 | 0 | 0 | 121.5 | Y381 | N379-Y381 PolarHBondContact O-N 3.02Š| ||
| 380 | N | 24.2 | Very low | 24.9 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -11.9 | 111.1 | 139.6 | -61.1 | -4.3 | 0 | 0 | 0 | 116.2 | ||||
| 381 | Y | 23.8 | Very low | 25.2 | Very low | 224 Ų | 224 | 137.7 Ų | 137.7 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | trans | -147.4 | 118.6 | 133 | -95.4 | -78.5 | 0 | 0 | 0 | 106.9 | N379 P383 | N379-Y381 PolarHBondContact O-N 3.02Å; Y381-P383 VanDerWaalsContact O-CD 3.27Å; Y381-P383 WeakPolarHBondContact O-CD 3.27Å | ||
| 382 | L | 23.1 | Very low | 25.3 | Very low | 168 Ų | 168 | 137 Ų | 137 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 120.2 | 170.8 | -90.8 | 72 | 0 | 0 | 0 | 108.7 | ||
| 383 | P | 26.4 | Very low | 25.5 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 135.3 | 166 | -0.6 | 21.4 | 0 | 0 | 0 | 109.1 | Y381 N385 | Y381-P383 VanDerWaalsContact O-CD 3.27Å; Y381-P383 WeakPolarHBondContact O-CD 3.27Å; P383-N385 PolarHBondContact O-N 3.4Å |
| 384 | S | 24.9 | Very low | 25.8 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 118 | 174.7 | 37.1 | 0 | 0 | 0 | 0 | 111.4 | N386 | S384-N386 PolarHBondContact O-N 2.62Š|
| 385 | N | 27.2 | Very low | 26 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -74.4 | 71.1 | 175.3 | -87.2 | -14.8 | 0 | 0 | 0 | 111.9 | P383 | P383-N385 PolarHBondContact O-N 3.4Š| ||
| 386 | N | 26.1 | Very low | 26.2 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -122.8 | 57 | 170.6 | -97.5 | -11 | 0 | 0 | 0 | 111.3 | S384 | S384-N386 PolarHBondContact O-N 2.62Š| ||
| 387 | S | 26.5 | Very low | 26.2 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -165.2 | 40.9 | 169.9 | 52.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 388 | M | 25.6 | Very low | 26.1 | Very low | 169 Ų | 169 | 140.3 Ų | 140.3 | 83% | 0.833 | 81% | 0.805 | S | S | * | * | trans | -131.6 | 28.1 | 173 | -148.3 | 169 | -179.3 | 0 | 0 | 114.3 | ||||
| 389 | A | 28.3 | Very low | 26.1 | Very low | 95 Ų | 95 | 142.5 Ų | 142.5 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -103 | 1.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 390 | S | 27.7 | Very low | 26 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -114.6 | 12.4 | -170.8 | -50.6 | 0 | 0 | 0 | 0 | 115.2 | ||
| 391 | S | 27.8 | Very low | 26.1 | Very low | 88 Ų | 88 | 143.4 Ų | 143.4 | 62% | 0.615 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -120.8 | 15.3 | -175.7 | 65 | 0 | 0 | 0 | 0 | 115.3 | ||
| 392 | I | 28.1 | Very low | 26.2 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -100.5 | -17.2 | 179.9 | -67.6 | 178.4 | 0 | 0 | 0 | 112.8 | ||
| 393 | L | 27.1 | Very low | 26.2 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -90.3 | 3.6 | -170.4 | -107.9 | 160.7 | 0 | 0 | 0 | 116.6 | ||
| 394 | N | 27.5 | Very low | 26.2 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -135 | 82.1 | 177.3 | -88.5 | -33.9 | 0 | 0 | 0 | 112 | ||||
| 395 | N | 27.8 | Very low | 26.1 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -148.7 | 40.8 | 162.2 | -110.9 | -18.2 | 0 | 0 | 0 | 113 | N397 | N395-N397 VanDerWaalsContact C-N 3.33Å; N395-N397 PolarHBondContact O-N 3.06Å | ||
| 396 | G | 25.3 | Very low | 26.1 | Very low | 76 Ų | 76 | 143.4 Ų | 143.4 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | -89.9 | 57.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 397 | N | 26.3 | Very low | 26.1 | Very low | 142 Ų | 142 | 142.9 Ų | 142.9 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | -165.4 | 88.5 | 166.9 | -99 | -29.7 | 0 | 0 | 0 | 110.4 | N395 H399 | N395-N397 VanDerWaalsContact C-N 3.33Å; N395-N397 PolarHBondContact O-N 3.06Å; N397-H399 VanDerWaalsContact C-N 3.3Å; N397-H399 PolarHBondContact O-N 2.91Å | ||
| 398 | I | 24.3 | Very low | 26.1 | Very low | 166 Ų | 166 | 147.6 Ų | 147.6 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -74 | 86.3 | 174.9 | -58 | 175.6 | 0 | 0 | 0 | 108.4 | L400 | I398-L400 PolarHBondContact O-N 3.02Š| ||
| 399 | H | 25.4 | Very low | 26.1 | Very low | 165 Ų | 165 | 145.1 Ų | 145.1 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -63.4 | 131.2 | 164.4 | -109.1 | -88.3 | 0 | 0 | 0 | 109.1 | N397 N401 | N397-H399 VanDerWaalsContact C-N 3.3Å; N397-H399 PolarHBondContact O-N 2.91Å; H399-N401 PolarHBondContact O-N 3.42Å | ||
| 400 | L | 23.3 | Very low | 26 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -61.9 | 80.7 | 176 | -79 | 156 | 0 | 0 | 0 | 111 | I398 Q402 | I398-L400 PolarHBondContact O-N 3.02Å; L400-Q402 PolarHBondContact O-N 3.33Å; L400-Q402 VanDerWaalsContact O-N 3.15Å | ||
| 401 | N | 25.1 | Very low | 25.8 | Very low | 149 Ų | 149 | 147.1 Ų | 147.1 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -67.1 | 114.4 | 173.6 | -102.2 | -32.8 | 0 | 0 | 0 | 108.9 | H399 I403 | H399-N401 PolarHBondContact O-N 3.42Å; N401-I403 PolarHBondContact O-N 3.2Å; N401-I403 VanDerWaalsContact O-N 3.08Å | ||
| 402 | Q | 25.6 | Very low | 25.6 | Very low | 185 Ų | 185 | 149.6 Ų | 149.6 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -48.2 | 115.3 | 178.7 | -66 | 170.7 | -11.8 | 0 | 0 | 110.2 | L400 K404 | L400-Q402 PolarHBondContact O-N 3.33Å; L400-Q402 VanDerWaalsContact O-N 3.15Å; Q402-K404 PolarHBondContact O-N 3.34Å | ||
| 403 | I | 23.7 | Very low | 25.5 | Very low | 153 Ų | 153 | 151.4 Ų | 151.4 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | -62.7 | 100.7 | 175.1 | -62.6 | 174.3 | 0 | 0 | 0 | 107.5 | N401 C405 | N401-I403 PolarHBondContact O-N 3.2Å; N401-I403 VanDerWaalsContact O-N 3.08Å; I403-C405 PolarHBondContact O-N 3.3Å | ||
| 404 | K | 26.3 | Very low | 25.5 | Very low | 183 Ų | 183 | 151.5 Ų | 151.5 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | trans | -65.6 | 98.7 | 168.7 | -88.5 | 179.8 | 174.6 | 171.5 | 0 | 107.9 | Q402 N406 | Q402-K404 PolarHBondContact O-N 3.34Å; K404-N406 PolarHBondContact O-N 2.98Å | ||
| 405 | C | 23.6 | Very low | 25.4 | Very low | 114 Ų | 114 | 150.7 Ų | 150.7 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | trans | -64.3 | 85.2 | 169.7 | -62.7 | 0 | 0 | 0 | 0 | 110.3 | I403 N407 | I403-C405 PolarHBondContact O-N 3.3Å; C405-N407 VanDerWaalsContact C-N 3.33Å; C405-N407 PolarHBondContact O-N 3.43Å | ||
| 406 | N | 26.5 | Very low | 25.3 | Very low | 142 Ų | 142 | 149.5 Ų | 149.5 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | trans | -72.5 | 87.5 | 167 | -82.4 | -8.8 | 0 | 0 | 0 | 109 | K404 | K404-N406 PolarHBondContact O-N 2.98Š| ||
| 407 | N | 26.2 | Very low | 25.2 | Very low | 148 Ų | 148 | 153.4 Ų | 153.4 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | -165.8 | 85.7 | 152.1 | -95.1 | -21 | 0 | 0 | 0 | 110 | C405 T409 | C405-N407 VanDerWaalsContact C-N 3.33Å; C405-N407 PolarHBondContact O-N 3.43Å; N407-T409 PolarHBondContact O-N 3.18Å | ||
| 408 | K | 25.8 | Very low | 25.1 | Very low | 213 Ų | 213 | 150.8 Ų | 150.8 | 93% | 0.926 | 81% | 0.805 | S | S | * | * | trans | -94.5 | 72.4 | 176.1 | -88.2 | -170 | 173 | -177.3 | 0 | 111.9 | ||||
| 409 | T | 27.1 | Very low | 25.2 | Very low | 117 Ų | 117 | 147.4 Ų | 147.4 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | trans | -159.2 | 120.3 | 165.8 | 44.4 | 0 | 0 | 0 | 0 | 106 | N407 | N407-T409 PolarHBondContact O-N 3.18Š| ||
| 410 | T | 25.4 | Very low | 25.1 | Very low | 124 Ų | 124 | 147.2 Ų | 147.2 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | cis | -151.5 | 122 | 10.2 | 41 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 411 | C | 23.3 | Very low | 25 | Very low | 135 Ų | 135 | 143.5 Ų | 143.5 | 91% | 0.912 | 79% | 0.788 | S | S | * | * | trans | -146.1 | 87.5 | 164.2 | -87.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 412 | T | 24.2 | Very low | 24.8 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -89.3 | 98.6 | 174.4 | 47 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 413 | E | 26.6 | Very low | 24.7 | Very low | 188 Ų | 188 | 141.9 Ų | 141.9 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | trans | -148.5 | 134.6 | 155.3 | -120.7 | 168.8 | -147.5 | 0 | 0 | 110.7 | V415 | E413-V415 PolarHBondContact O-N 3.09Š| ||
| 414 | N | 26.2 | Very low | 24.5 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | trans | -83.2 | 112.6 | -163.8 | -65.3 | -53.7 | 0 | 0 | 0 | 111.6 | ||||
| 415 | V | 25.6 | Very low | 24.4 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -122.8 | 113.5 | 155.8 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | E413 M417 | E413-V415 PolarHBondContact O-N 3.09Å; V415-M417 PolarHBondContact O-N 3.38Å; V415-M417 VanDerWaalsContact O-N 3.16Å | ||
| 416 | N | 25.8 | Very low | 24.7 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 68% | 0.679 | 78% | 0.781 | S | S | * | * | trans | -79.8 | 93.7 | -170.8 | -175.9 | 21.3 | 0 | 0 | 0 | 111.7 | S418 | N416-S418 PolarHBondContact ND2-OG 3.22Å; N416-S418 VanDerWaalsContact ND2-OG 3.13Å; N416-S418 PolarHBondContact O-N 2.94Å; N416-S418 WeakPolarHBondContact OD1-CB 3.43Å; N416-S418 PolarHBondContact OD1-OG 3.49Å; N416-S418 VanDerWaalsContact OD1-OG 3.1Å | ||
| 417 | M | 23 | Very low | 24.5 | Very low | 158 Ų | 158 | 135 Ų | 135 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | trans | -79.3 | 48.4 | 175.9 | -83 | -81.3 | -82.3 | 0 | 0 | 113 | V415 | V415-M417 PolarHBondContact O-N 3.38Å; V415-M417 VanDerWaalsContact O-N 3.16Å | ||
| 418 | S | 25.1 | Very low | 24.4 | Very low | 87 Ų | 87 | 135.2 Ų | 135.2 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | trans | -106.5 | 47.2 | 175.3 | 75.6 | 0 | 0 | 0 | 0 | 112.2 | N416 | N416-S418 PolarHBondContact ND2-OG 3.22Å; N416-S418 VanDerWaalsContact ND2-OG 3.13Å; N416-S418 PolarHBondContact O-N 2.94Å; N416-S418 WeakPolarHBondContact OD1-CB 3.43Å; N416-S418 PolarHBondContact OD1-OG 3.49Å; N416-S418 VanDerWaalsContact OD1-OG 3.1Å | ||
| 419 | S | 24.6 | Very low | 24.3 | Very low | 95 Ų | 95 | 130.7 Ų | 130.7 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | trans | -156.8 | 46.8 | 179.9 | 70.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 420 | L | 23.4 | Very low | 24 | Very low | 161 Ų | 161 | 135 Ų | 135 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -133.6 | 54.4 | 167.5 | -75.8 | 179 | 0 | 0 | 0 | 112.1 | ||||
| 421 | S | 21.1 | Very low | 23.8 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | trans | -96.4 | 129.7 | 144.9 | 48.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 422 | Y | 22.1 | Very low | 23.8 | Very low | 212 Ų | 212 | 137.7 Ų | 137.7 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | 172.1 | 144.3 | 112.6 | -104.4 | -79.5 | 0 | 0 | 0 | 114 | |||||
| 423 | S | 22.6 | Very low | 23.6 | Very low | 89 Ų | 89 | 136.6 Ų | 136.6 | 62% | 0.622 | 78% | 0.777 | S | S | * | * | trans | 49.7 | 100 | 150.7 | 60.4 | 0 | 0 | 0 | 0 | 119.3 | S425 | S423-S425 PolarHBondContact O-N 2.93Š| ||
| 424 | S | 20.9 | Very low | 23.4 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -40.7 | 124.9 | 131.1 | 39.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 425 | S | 23 | Very low | 23.4 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | -158.5 | 112.6 | 157.5 | -84.5 | 0 | 0 | 0 | 0 | 109.5 | S423 A427 | S423-S425 PolarHBondContact O-N 2.93Å; S425-A427 PolarHBondContact O-N 3.2Å | ||
| 426 | P | 30.7 | Very low | 23.2 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 84% | 0.844 | 77% | 0.768 | S | S | * | * | trans | -81.8 | 117 | -176.7 | 31.6 | -32.2 | 0 | 0 | 0 | 110.8 | ||||
| 427 | A | 22.8 | Very low | 23.2 | Very low | 92 Ų | 92 | 136 Ų | 136 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | -119.1 | 72.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | S425 P429 | S425-A427 PolarHBondContact O-N 3.2Å; A427-P429 VanDerWaalsContact O-CD 3.27Å; A427-P429 WeakPolarHBondContact O-CD 3.26Å | ||
| 428 | N | 23.2 | Very low | 23.4 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -60.5 | 119.1 | 172.8 | -91.2 | -10.7 | 0 | 0 | 0 | 110.3 | K430 | N428-K430 PolarHBondContact O-N 3.28Š| ||
| 429 | P | 23 | Very low | 23.3 | Very low | 118 Ų | 118 | 139 Ų | 139 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -71 | 114.2 | 169.8 | -9.9 | 26.6 | 0 | 0 | 0 | 108.6 | A427 L431 | A427-P429 VanDerWaalsContact O-CD 3.27Å; A427-P429 WeakPolarHBondContact O-CD 3.26Å; P429-L431 PolarHBondContact O-N 2.85Å | ||
| 430 | K | 21.4 | Very low | 23.3 | Very low | 207 Ų | 207 | 142.7 Ų | 142.7 | 90% | 0.9 | 79% | 0.789 | S | S | * | * | trans | -65.7 | 102.9 | 173.1 | -68.4 | 178.2 | 177.5 | 179.5 | 0 | 109.6 | N428 | N428-K430 PolarHBondContact O-N 3.28Š| ||
| 431 | L | 21.9 | Very low | 23.2 | Very low | 173 Ų | 173 | 140.4 Ų | 140.4 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 140.1 | 163.2 | -88.4 | 162.4 | 0 | 0 | 0 | 110.1 | P429 | P429-L431 PolarHBondContact O-N 2.85Š|
| 432 | N | 22.5 | Very low | 23.3 | Very low | 143 Ų | 143 | 143.3 Ų | 143.3 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 130.1 | -155.8 | -165.8 | 20.8 | 0 | 0 | 0 | 112.6 | ||
| 433 | T | 20.2 | Very low | 23.2 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 126.4 | 170 | 49.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 434 | N | 23 | Very low | 23.2 | Very low | 140 Ų | 140 | 146 Ų | 146 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | trans | -177.5 | 99.5 | 149.5 | -93 | -22.9 | 0 | 0 | 0 | 110.8 | ||||
| 435 | N | 25.1 | Very low | 23.2 | Very low | 167 Ų | 167 | 145.5 Ų | 145.5 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | 173.1 | 117.8 | 125.9 | -86.7 | -14.3 | 0 | 0 | 0 | 109.7 | |||||
| 436 | I | 22.5 | Very low | 23.3 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -107.8 | 151.1 | 179.1 | -73.7 | 170.3 | 0 | 0 | 0 | 108.2 | ||||
| 437 | N | 24.5 | Very low | 22.9 | Very low | 146 Ų | 146 | 149.4 Ų | 149.4 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | trans | 75.3 | 107.3 | 175 | -60.3 | -28.8 | 0 | 0 | 0 | 117.7 | ||||
| 438 | D | 27.2 | Very low | 22.9 | Very low | 144 Ų | 144 | 151.7 Ų | 151.7 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | -160.1 | 77.5 | 123.6 | -114.4 | -19.9 | 0 | 0 | 0 | 111.4 | K440 | D438-K440 PolarHBondContact O-N 2.9Å; D438-K440 VanDerWaalsContact O-N 3.1Å | |||
| 439 | N | 23.6 | Very low | 22.9 | Very low | 163 Ų | 163 | 149.9 Ų | 149.9 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | -74.9 | 96.7 | 173.1 | -85 | -8.5 | 0 | 0 | 0 | 110.6 | ||||
| 440 | K | 25 | Very low | 22.9 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | -120.7 | 92.8 | 162.9 | -79.7 | 179.9 | -179.6 | 164.6 | 0 | 110.6 | D438 L442 | D438-K440 PolarHBondContact O-N 2.9Å; D438-K440 VanDerWaalsContact O-N 3.1Å; K440-L442 PolarHBondContact O-N 3.33Å; K440-L442 VanDerWaalsContact O-N 3.11Å | ||
| 441 | S | 21.8 | Very low | 23 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -66 | 102.4 | 169.6 | 41.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 442 | L | 21.5 | Very low | 23 | Very low | 153 Ų | 153 | 143 Ų | 143 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | trans | -93.6 | 108.5 | 171.2 | -93.1 | 160.2 | 0 | 0 | 0 | 109.8 | K440 | K440-L442 PolarHBondContact O-N 3.33Å; K440-L442 VanDerWaalsContact O-N 3.11Å | ||
| 443 | F | 20.7 | Very low | 23 | Very low | 196 Ų | 196 | 146.5 Ų | 146.5 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -63.1 | 132.5 | 163.7 | -78.4 | -101.7 | 0 | 0 | 0 | 109.4 | ||||
| 444 | I | 22.4 | Very low | 23.3 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -116.2 | 112.8 | 170 | -60.8 | -179.3 | 0 | 0 | 0 | 108.3 | ||||
| 445 | T | 21.9 | Very low | 23.3 | Very low | 108 Ų | 108 | 149 Ų | 149 | 66% | 0.663 | 82% | 0.82 | S | S | * | * | trans | -75.4 | 149.8 | 174.2 | 41.8 | 0 | 0 | 0 | 0 | 111.3 | E447 | T445-E447 PolarHBondContact O-N 2.99Š| ||
| 446 | P | 23.4 | Very low | 23.2 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | trans | -76 | 106.1 | -176.4 | 30.3 | -34.1 | 0 | 0 | 0 | 111.3 | ||||
| 447 | E | 22.6 | Very low | 23.3 | Very low | 186 Ų | 186 | 146.3 Ų | 146.3 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -90.9 | 132.9 | 172.5 | -73.8 | -154.4 | 154.6 | 0 | 0 | 113.1 | T445 | T445-E447 PolarHBondContact O-N 2.99Š| ||
| 448 | T | 23 | Very low | 23.5 | Very low | 140 Ų | 140 | 142 Ų | 142 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -80.2 | 124.3 | 175.4 | 51.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 449 | S | 24.1 | Very low | 23.4 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -145 | 108 | 159.1 | 65.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 450 | S | 21.8 | Very low | 23.9 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 88% | 0.881 | 77% | 0.765 | S | S | * | * | trans | -66.5 | 136.7 | 168.5 | 51.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 451 | S | 23.4 | Very low | 23.8 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -133.9 | 129.3 | 156.4 | 63 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 452 | S | 23 | Very low | 23.7 | Very low | 113 Ų | 113 | 139 Ų | 139 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -92.6 | 146.7 | -171.1 | 52.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 453 | Y | 22.2 | Very low | 23.8 | Very low | 218 Ų | 218 | 140.5 Ų | 140.5 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | -122.4 | 142.8 | 156.2 | -81.4 | -83.5 | 0 | 0 | 0 | 110.8 | ||||
| 454 | P | 26.2 | Very low | 23.7 | Very low | 117 Ų | 117 | 140 Ų | 140 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | trans | -90.6 | 135.7 | -164.6 | 34.4 | -34.5 | 0 | 0 | 0 | 113.8 | ||||
| 455 | M | 22.5 | Very low | 23.7 | Very low | 193 Ų | 193 | 137.3 Ų | 137.3 | 95% | 0.951 | 77% | 0.771 | S | S | * | * | trans | -85.4 | 147.5 | 169.8 | -85.9 | -98.2 | 134.4 | 0 | 0 | 111.6 | ||||
| 456 | V | 24.4 | Very low | 23.8 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | trans | -104.2 | 149.7 | -175.8 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 457 | N | 24.9 | Very low | 23.8 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 65% | 0.652 | 78% | 0.775 | S | S | * | * | trans | -84.6 | 132.7 | -162.8 | -160.5 | 84.4 | 0 | 0 | 0 | 114.8 | D568 | N457-D568 PolarHBondContact ND2-OD2 2.92Š| ||
| 458 | P | 27 | Very low | 23.9 | Very low | 55 Ų | 55 | 135.3 Ų | 135.3 | 36% | 0.357 | 77% | 0.768 | S | S | . | * | trans | -91.6 | 175.4 | 171.2 | 9.3 | 10.4 | 0 | 0 | 0 | 113.3 | D568 L570 | P458-D568 WeakPolarHBondContact O-CA 3.42Å; P458-D568 WeakPolarHBondContact O-CB 3.4Å; P458-L570 HydrophobicContact CB-CB 4.28Å; P458-L570 VanDerWaalsContact CB-N 3.32Å | ||
| 459 | Q | 26.1 | Very low | 24.5 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 60% | 0.603 | 77% | 0.768 | S | S | * | * | trans | -126.3 | 149.7 | -178.3 | -92 | -164.5 | -22.9 | 0 | 0 | 116.9 | D568 S569 L570 | Q459-D568 VanDerWaalsContact CA-CB 3.43Å; Q459-S569 VanDerWaalsContact C-N 3.27Å; Q459-S569 CarbonylContact O-C 2.86Å; Q459-S569 WeakPolarHBondContact O-CA 3.36Å; Q459-S569 PolarHBondContact O-N 3.37Å; Q459-S569 PolarHBondContact O-OG 2.77Å; Q459-L570 HydrophobicContact CB-CD1 4Å; Q459-L570 HydrophobicContact CB-CG 4.21Å; Q459-L570 PolarHBondContact O-N 2.95Å | ||
| 460 | P | 33.1 | Very low | 24.3 | Very low | 76 Ų | 76 | 140.2 Ų | 140.2 | 49% | 0.494 | 77% | 0.77 | S | S | . | * | trans | -100.7 | 173.2 | -141.5 | 23.6 | -14.9 | 0 | 0 | 0 | 120.2 | D568 S569 | P460-D568 HydrophobicContact CB-CB 3.6Å; P460-D568 VanDerWaalsContact CD-OD1 3.24Å; P460-D568 WeakPolarHBondContact CD-OD1 3.46Å; P460-D568 HydrophobicContact CG-CB 3.8Å; P460-D568 WeakPolarHBondContact CG-OD1 3.35Å; P460-S569 WeakPolarHBondContact CA-OG 3.45Å | ||
| 461 | L | 23.2 | Very low | 24.3 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -132.7 | 161.4 | 170.5 | -90.2 | 169.2 | 0 | 0 | 0 | 116.7 | ||||
| 462 | L | 21 | Very low | 24.2 | Very low | 170 Ų | 170 | 143.8 Ų | 143.8 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | trans | -86.6 | 159.4 | -157.2 | -99.7 | 87.3 | 0 | 0 | 0 | 118.4 | ||||
| 463 | K | 22.4 | Very low | 24.2 | Very low | 185 Ų | 185 | 146 Ų | 146 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -89.9 | 150.2 | 175.7 | -68.6 | 170.2 | 172.1 | 171.5 | 0 | 114.3 | ||||
| 464 | M | 19.1 | Very low | 24.7 | Very low | 186 Ų | 186 | 140.9 Ų | 140.9 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | trans | -136.2 | 96.7 | 139.9 | -65.6 | -179 | 75.3 | 0 | 0 | 107 | ||||
| 465 | S | 22.7 | Very low | 24.6 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | 77.7 | 86.8 | 85 | -173.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 466 | T | 23.1 | Very low | 24.8 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | trans | -114.6 | 129.8 | 169.4 | 49.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 467 | N | 24.2 | Very low | 24.9 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | trans | -101.8 | 104 | 178.3 | -78.5 | -21.5 | 0 | 0 | 0 | 111.4 | ||||
| 468 | S | 24.5 | Very low | 25.1 | Very low | 102 Ų | 102 | 148.3 Ų | 148.3 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | 15.4 | 158.5 | 133.1 | 57.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 469 | P | 36.1 | Very low | 25.1 | Very low | 131 Ų | 131 | 149 Ų | 149 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | cis | -138 | -178.1 | 0.5 | 32.2 | -8.7 | 0 | 0 | 0 | 117 | ||||
| 470 | R | 20 | Very low | 25 | Very low | 227 Ų | 227 | 152.3 Ų | 152.3 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | -75.5 | 157.7 | -178 | -58.1 | 167.9 | 173.1 | -173.7 | -6.5 | 115.8 | ||||
| 471 | Q | 22.3 | Very low | 24.6 | Very low | 200 Ų | 200 | 159 Ų | 159 | 94% | 0.935 | 82% | 0.824 | S | S | * | * | trans | -128.5 | 160.8 | 140.5 | -75.4 | -170.7 | -3.5 | 0 | 0 | 110.3 | ||||
| 472 | V | 21.2 | Very low | 24.5 | Very low | 114 Ų | 114 | 160.9 Ų | 160.9 | 69% | 0.691 | 83% | 0.826 | S | S | * | * | trans | -147 | 142.3 | -165.9 | 173.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 473 | L | 22.3 | Very low | 24.6 | Very low | 161 Ų | 161 | 160.8 Ų | 160.8 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | 179.6 | 165.3 | 140.7 | -116.8 | 82.6 | 0 | 0 | 0 | 111.7 | ||||
| 474 | P | 33.2 | Very low | 24.6 | Very low | 110 Ų | 110 | 160.8 Ų | 160.8 | 71% | 0.714 | 82% | 0.824 | S | S | * | * | -136.9 | -167.3 | -106.6 | 44.6 | -25.4 | 0 | 0 | 0 | 117.4 | |||||
| 475 | E | 24 | Very low | 24.8 | Very low | 187 Ų | 187 | 159.5 Ų | 159.5 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | -78.9 | 157.6 | -171.5 | -49.1 | 150.8 | 129.6 | 0 | 0 | 117.1 | ||||
| 476 | I | 25.4 | Very low | 24.6 | Very low | 151 Ų | 151 | 160.2 Ų | 160.2 | 77% | 0.774 | 82% | 0.82 | S | S | * | * | trans | -157.8 | 135 | 163.2 | -67.8 | -166.3 | 0 | 0 | 0 | 105.7 | ||||
| 477 | K | 27.8 | Very low | 24.7 | Very low | 188 Ų | 188 | 160.8 Ų | 160.8 | 82% | 0.817 | 82% | 0.818 | S | S | * | * | cis | -161.7 | 168.4 | -1.4 | -113.7 | 169.6 | -165.7 | 159.4 | 0 | 109.8 | ||||
| 478 | E | 29.1 | Very low | 24.5 | Very low | 202 Ų | 202 | 163.1 Ų | 163.1 | 94% | 0.944 | 82% | 0.824 | S | S | * | * | trans | -121.5 | 173.4 | 166.5 | -69.2 | -174.9 | 132.4 | 0 | 0 | 112.6 | ||||
| 479 | G | 26.6 | Very low | 24.6 | Very low | 69 Ų | 69 | 166.1 Ų | 166.1 | 71% | 0.711 | 83% | 0.832 | S | S | * | * | trans | -164.9 | 107.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 480 | K | 24.4 | Very low | 24.1 | Very low | 198 Ų | 198 | 165.3 Ų | 165.3 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | trans | 56.5 | 123.1 | 139.5 | -60.5 | 173.5 | 178.8 | 175.1 | 0 | 121.2 | ||||
| 481 | F | 23.5 | Very low | 24.2 | Very low | 217 Ų | 217 | 165.3 Ų | 165.3 | 95% | 0.952 | 83% | 0.826 | S | S | * | * | -141.9 | 151.8 | 125.6 | -102.3 | -79.8 | 0 | 0 | 0 | 110.8 | |||||
| 482 | K | 21.4 | Very low | 24.1 | Very low | 195 Ų | 195 | 164.7 Ų | 164.7 | 85% | 0.848 | 83% | 0.826 | S | S | * | * | trans | -152.4 | 116.5 | -169.5 | 178.2 | -171.1 | -175.9 | -177.7 | 0 | 109.4 | ||||
| 483 | I | 23.3 | Very low | 24.2 | Very low | 167 Ų | 167 | 165.7 Ų | 165.7 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | trans | -130.1 | 152.9 | 169 | -59.2 | -176.6 | 0 | 0 | 0 | 108.8 | ||||
| 484 | K | 22.9 | Very low | 24.2 | Very low | 186 Ų | 186 | 163.6 Ų | 163.6 | 81% | 0.809 | 83% | 0.826 | S | S | * | * | trans | -115.9 | 146.5 | -153.9 | -159.6 | -171.2 | 178.1 | -157.6 | 0 | 110.5 | ||||
| 485 | L | 22.9 | Very low | 23.7 | Very low | 159 Ų | 159 | 168 Ų | 168 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | trans | -81.4 | 169.6 | 168.7 | -80.4 | 159.4 | 0 | 0 | 0 | 111.8 | ||||
| 486 | T | 19.2 | Very low | 23.7 | Very low | 118 Ų | 118 | 165.3 Ų | 165.3 | 72% | 0.724 | 83% | 0.83 | S | S | * | * | trans | 76.7 | 127.9 | -176.9 | 89.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 487 | D | 24.1 | Very low | 23.6 | Very low | 148 Ų | 148 | 164.8 Ų | 164.8 | 79% | 0.791 | 83% | 0.829 | S | S | * | * | cis | -138 | 158.1 | 48.8 | -66.5 | -33.6 | 0 | 0 | 0 | 115.5 | ||||
| 488 | E | 21 | Very low | 23.5 | Very low | 196 Ų | 196 | 163.5 Ų | 163.5 | 92% | 0.916 | 83% | 0.831 | S | S | * | * | trans | -81 | 136.6 | 172.1 | -63 | -171.8 | 152.1 | 0 | 0 | 111.6 | ||||
| 489 | L | 25.4 | Very low | 23.3 | Very low | 165 Ų | 165 | 161.8 Ų | 161.8 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | trans | -131.2 | 146 | 158.6 | -96.8 | 138.3 | 0 | 0 | 0 | 109.2 | ||||
| 490 | P | 27.1 | Very low | 23.1 | Very low | 114 Ų | 114 | 166.1 Ų | 166.1 | 74% | 0.74 | 83% | 0.829 | S | S | * | * | trans | -93.1 | 151.3 | -147 | 34.7 | -36.3 | 0 | 0 | 0 | 115.3 | M492 | P490-M492 PolarHBondContact O-N 3.17Š| ||
| 491 | R | 21.1 | Very low | 23.1 | Very low | 226 Ų | 226 | 164.1 Ų | 164.1 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -21.8 | 119.4 | 161 | -62.6 | 172.1 | 176.4 | 164 | -2.4 | 115.1 | ||||
| 492 | M | 19.9 | Very low | 23.1 | Very low | 188 Ų | 188 | 159.5 Ų | 159.5 | 93% | 0.926 | 82% | 0.816 | S | S | * | * | trans | -99.5 | 110.7 | 141 | -81.9 | -176.5 | 65.4 | 0 | 0 | 108.6 | P490 | P490-M492 PolarHBondContact O-N 3.17Š| ||
| 493 | N | 22.8 | Very low | 23.2 | Very low | 134 Ų | 134 | 155.1 Ų | 155.1 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | trans | -72.3 | 124.9 | 167.3 | -68.1 | -19.6 | 0 | 0 | 0 | 108.6 | ||||
| 494 | S | 23.7 | Very low | 23.2 | Very low | 117 Ų | 117 | 152.3 Ų | 152.3 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -122.5 | 125 | 151.1 | 53.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 495 | Y | 22.5 | Very low | 23.2 | Very low | 203 Ų | 203 | 148 Ų | 148 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | -74.9 | 126.6 | 177.5 | -86.6 | -116.2 | 0 | 0 | 0 | 109.5 | ||||
| 496 | C | 23.4 | Very low | 23.4 | Very low | 131 Ų | 131 | 148.4 Ų | 148.4 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | trans | -142.8 | 83.3 | 148 | -89.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 497 | N | 23.5 | Very low | 23.5 | Very low | 139 Ų | 139 | 151 Ų | 151 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | trans | -72.9 | 122.7 | 151.3 | -81.3 | -28.7 | 0 | 0 | 0 | 106.1 | ||||
| 498 | D | 25.9 | Very low | 23.5 | Very low | 162 Ų | 162 | 151.5 Ų | 151.5 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | -142.9 | 149.5 | 144.8 | -99.8 | -39.7 | 0 | 0 | 0 | 110 | ||||
| 499 | Q | 25.8 | Very low | 23.6 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -87.6 | 141.1 | -149.4 | -66.3 | 169.9 | -5.5 | 0 | 0 | 113.3 | I501 | Q499-I501 PolarHBondContact O-N 2.85Š| ||
| 500 | L | 22.3 | Very low | 23.4 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -55 | 108 | 158.9 | -85.9 | 153 | 0 | 0 | 0 | 109.9 | T502 | L500-T502 PolarHBondContact O-N 2.96Š| ||
| 501 | I | 23.8 | Very low | 23.3 | Very low | 155 Ų | 155 | 144.9 Ų | 144.9 | 80% | 0.795 | 79% | 0.793 | S | S | * | * | trans | -83.3 | 91.4 | 161.9 | -61.2 | 179.7 | 0 | 0 | 0 | 107.5 | Q499 | Q499-I501 PolarHBondContact O-N 2.85Š| ||
| 502 | T | 23.1 | Very low | 23.4 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | -87.7 | 104.5 | 164.8 | 52.1 | 0 | 0 | 0 | 0 | 109.6 | L500 | L500-T502 PolarHBondContact O-N 2.96Š| ||
| 503 | S | 23.7 | Very low | 23.5 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | -148.9 | 120.7 | 157.2 | 58.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 504 | S | 22.8 | Very low | 23.5 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -69.4 | 175.4 | -175.5 | 48 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 505 | S | 23.9 | Very low | 23.4 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | 60.3 | 92 | 161.2 | 55.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 506 | N | 25.7 | Very low | 23.4 | Very low | 166 Ų | 166 | 135.3 Ų | 135.3 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | -156.8 | 112.1 | 105.5 | -91.4 | -31.5 | 0 | 0 | 0 | 110.6 | L508 | N506-L508 PolarHBondContact O-N 2.84Š| |||
| 507 | L | 22.8 | Very low | 23.3 | Very low | 172 Ų | 172 | 136.9 Ų | 136.9 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | trans | -70.1 | 113 | 164.9 | -76.3 | 156.9 | 0 | 0 | 0 | 108.1 | ||||
| 508 | L | 23.6 | Very low | 23.3 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | -173.6 | 120 | 148.5 | -103.3 | 160.6 | 0 | 0 | 0 | 110.5 | N506 | N506-L508 PolarHBondContact O-N 2.84Š| ||
| 509 | S | 23.3 | Very low | 23.2 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | trans | 52.5 | 123.7 | 157.6 | 57.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 510 | S | 21.8 | Very low | 23.1 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | trans | 70.8 | 143.2 | 144.6 | 48.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 511 | D | 24.2 | Very low | 23.1 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | trans | 80.3 | 73.7 | 156.1 | -51.3 | -20.5 | 0 | 0 | 0 | 119.7 | V513 | D511-V513 PolarHBondContact O-N 2.8Š| ||
| 512 | S | 23.1 | Very low | 23 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | 33.8 | 72.8 | 115 | -49.3 | 0 | 0 | 0 | 0 | 118.2 | Y514 | S512-Y514 WeakPolarHBondContact O-CD2 3.34Å; S512-Y514 PolarHBondContact O-N 3.18Å | |||
| 513 | V | 22.9 | Very low | 22.9 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | trans | -79.4 | 105.2 | 166.9 | 179.5 | 0 | 0 | 0 | 0 | 110 | D511 | D511-V513 PolarHBondContact O-N 2.8Š| ||
| 514 | Y | 22.2 | Very low | 22.9 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 57% | 0.565 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 135.8 | 174.6 | -77.9 | -100.4 | 0 | 0 | 0 | 111.8 | S512 N691 | S512-Y514 WeakPolarHBondContact O-CD2 3.34Å; S512-Y514 PolarHBondContact O-N 3.18Å; Y514-N691 WeakPolarHBondContact CE2-ND2 3.24Å; Y514-N691 PolarHBondContact OH-ND2 2.92Å; Y514-N691 VanDerWaalsContact OH-ND2 3.07Å |
| 515 | L | 21.2 | Very low | 22.9 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 122.6 | 171.8 | -91.9 | 156.1 | 0 | 0 | 0 | 110 | L517 | L515-L517 PolarHBondContact O-N 3.37Š|
| 516 | P | 21.9 | Very low | 22.9 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 118.9 | -172.2 | 30.7 | -33.9 | 0 | 0 | 0 | 112.8 | N518 | P516-N518 PolarHBondContact O-N 2.86Š|
| 517 | L | 23 | Very low | 22.6 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | trans | -82.3 | 102.3 | 169.5 | -76.2 | 169.2 | 0 | 0 | 0 | 110.6 | L515 V519 | L515-L517 PolarHBondContact O-N 3.37Å; L517-V519 PolarHBondContact O-N 2.86Å | ||
| 518 | N | 22.3 | Very low | 22.6 | Very low | 150 Ų | 150 | 137.2 Ų | 137.2 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | -78.9 | 81.8 | 179.5 | -169.1 | 14.4 | 0 | 0 | 0 | 111.2 | P516 S520 | P516-N518 PolarHBondContact O-N 2.86Å; N518-S520 PolarHBondContact O-N 3.4Å; N518-S520 VanDerWaalsContact O-N 3.11Å | ||
| 519 | V | 24.2 | Very low | 22.5 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | -81.6 | 84.2 | 175.6 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | L517 N521 | L517-V519 PolarHBondContact O-N 2.86Å; V519-N521 PolarHBondContact O-N 3.23Å | ||
| 520 | S | 23.1 | Very low | 22.4 | Very low | 84 Ų | 84 | 140.5 Ų | 140.5 | 59% | 0.587 | 77% | 0.769 | S | S | * | * | trans | -72.9 | 120.4 | 174.2 | 57.1 | 0 | 0 | 0 | 0 | 111.6 | N518 T522 | N518-S520 PolarHBondContact O-N 3.4Å; N518-S520 VanDerWaalsContact O-N 3.11Å; S520-T522 PolarHBondContact O-N 2.85Å; S520-T522 VanDerWaalsContact O-N 3.16Å | ||
| 521 | N | 22.1 | Very low | 22.4 | Very low | 154 Ų | 154 | 144 Ų | 144 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | -51.2 | 115.7 | 172.2 | -75.7 | -30 | 0 | 0 | 0 | 112.1 | V519 | V519-N521 PolarHBondContact O-N 3.23Š| ||
| 522 | T | 22.9 | Very low | 22.3 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 69% | 0.693 | 78% | 0.78 | S | S | * | * | trans | -121.3 | 78.9 | 162.3 | 55.1 | 0 | 0 | 0 | 0 | 110.2 | S520 N524 | S520-T522 PolarHBondContact O-N 2.85Å; S520-T522 VanDerWaalsContact O-N 3.16Å; T522-N524 PolarHBondContact O-N 2.85Å | ||
| 523 | T | 21.2 | Very low | 22.2 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | trans | -66.8 | 93.6 | 161.8 | 46.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 524 | N | 23.8 | Very low | 22.3 | Very low | 138 Ų | 138 | 147.1 Ų | 147.1 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | -116.2 | 103.9 | 168.9 | -85.9 | -23.7 | 0 | 0 | 0 | 109.4 | T522 I526 | T522-N524 PolarHBondContact O-N 2.85Å; N524-I526 PolarHBondContact O-N 3.02Å | ||
| 525 | N | 22.9 | Very low | 22.3 | Very low | 155 Ų | 155 | 150 Ų | 150 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -59 | 124.1 | 167.7 | -60.2 | -19.5 | 0 | 0 | 0 | 108.8 | ||||
| 526 | I | 23.5 | Very low | 22.3 | Very low | 151 Ų | 151 | 146.9 Ų | 146.9 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | trans | -127.6 | 83.9 | 158.1 | -56.6 | -178.8 | 0 | 0 | 0 | 106.3 | N524 E528 | N524-I526 PolarHBondContact O-N 3.02Å; I526-E528 PolarHBondContact O-N 2.99Å | ||
| 527 | E | 18.5 | Very low | 22.5 | Very low | 188 Ų | 188 | 151.2 Ų | 151.2 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -67.3 | 118.8 | 151.4 | -65.7 | 177.2 | 131.5 | 0 | 0 | 106.6 | ||||
| 528 | E | 23.3 | Very low | 22.4 | Very low | 169 Ų | 169 | 148.4 Ų | 148.4 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -149.3 | 116.2 | 149.8 | -126 | 171.7 | -151.8 | 0 | 0 | 111 | I526 | I526-E528 PolarHBondContact O-N 2.99Š| ||
| 529 | T | 20.4 | Very low | 22.4 | Very low | 123 Ų | 123 | 149.9 Ų | 149.9 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -64.4 | 137 | 178.8 | 47.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 530 | F | 22.4 | Very low | 22.2 | Very low | 206 Ų | 206 | 148.9 Ų | 148.9 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | -133.7 | 113.8 | 150.7 | -95.7 | -78.4 | 0 | 0 | 0 | 111.4 | ||||
| 531 | E | 21 | Very low | 22.2 | Very low | 175 Ų | 175 | 152.4 Ų | 152.4 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -76.8 | 144.9 | -176.6 | -69.1 | -179.6 | 122.9 | 0 | 0 | 113.4 | ||||
| 532 | T | 22.1 | Very low | 22.2 | Very low | 136 Ų | 136 | 149.6 Ų | 149.6 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | 15.1 | 123.2 | 146 | 65.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 533 | G | 22.2 | Very low | 22.1 | Very low | 64 Ų | 64 | 150.7 Ų | 150.7 | 66% | 0.66 | 81% | 0.813 | S | S | * | * | trans | 167.8 | 91.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 534 | Y | 23.3 | Very low | 22.1 | Very low | 238 Ų | 238 | 152.4 Ų | 152.4 | 93% | 0.933 | 81% | 0.812 | S | S | * | * | 163.3 | 131.4 | 106.5 | -99.6 | -85.8 | 0 | 0 | 0 | 112.6 | |||||
| 535 | K | 22.7 | Very low | 22 | Very low | 204 Ų | 204 | 154.8 Ų | 154.8 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | -72.1 | 149.2 | -176.7 | -73.2 | 178.3 | 172.9 | 178.6 | 0 | 113.1 | ||||
| 536 | A | 21.9 | Very low | 21.9 | Very low | 98 Ų | 98 | 154.9 Ų | 154.9 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | -56.9 | 146.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 537 | K | 25.6 | Very low | 21.9 | Very low | 212 Ų | 212 | 155 Ų | 155 | 92% | 0.922 | 82% | 0.816 | S | S | * | * | trans | -137.6 | 153.1 | 155 | -83.5 | -166.7 | 175.7 | 179.3 | 0 | 111.1 | ||||
| 538 | S | 20.7 | Very low | 22.2 | Very low | 105 Ų | 105 | 150.3 Ų | 150.3 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -93.4 | 152.7 | -158.2 | 43.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 539 | H | 22.1 | Very low | 22.4 | Very low | 182 Ų | 182 | 150 Ų | 150 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | 8.7 | 119.3 | 146.3 | -60.8 | 87.5 | 0 | 0 | 0 | 119.2 | ||||
| 540 | S | 21 | Very low | 22.7 | Very low | 107 Ų | 107 | 148.8 Ų | 148.8 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | 177.3 | 139.5 | 115.3 | 50.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 541 | N | 22.2 | Very low | 22.9 | Very low | 157 Ų | 157 | 147.7 Ų | 147.7 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | 48.3 | 108.8 | 146 | -58.3 | -13.3 | 0 | 0 | 0 | 122.6 | ||||
| 542 | A | 22.9 | Very low | 23.2 | Very low | 95 Ų | 95 | 146.5 Ų | 146.5 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -155.7 | 93.6 | 144.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 543 | V | 21.3 | Very low | 23.3 | Very low | 137 Ų | 137 | 150.8 Ų | 150.8 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | 61.8 | 124.2 | 90 | -177.5 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 544 | H | 20 | Very low | 23.7 | Very low | 160 Ų | 160 | 156.5 Ų | 156.5 | 74% | 0.741 | 82% | 0.815 | S | S | * | * | trans | -45.8 | 146.8 | -179.9 | -70.1 | -96.6 | 0 | 0 | 0 | 116.3 | ||||
| 545 | H | 22.1 | Very low | 24.1 | Very low | 189 Ų | 189 | 150.3 Ų | 150.3 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | trans | -138.6 | 129.3 | 133.6 | -112.8 | -79.8 | 0 | 0 | 0 | 111.6 | ||||
| 546 | M | 20 | Very low | 24.3 | Very low | 156 Ų | 156 | 147.1 Ų | 147.1 | 77% | 0.768 | 80% | 0.798 | S | S | * | * | trans | -93.8 | 158 | 169.9 | -67 | 168.2 | 58.8 | 0 | 0 | 110 | ||||
| 547 | I | 24.2 | Very low | 24.5 | Very low | 153 Ų | 153 | 149.4 Ų | 149.4 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | 157.3 | 101 | 153.2 | -85.9 | 154.4 | 0 | 0 | 0 | 104.5 | ||||
| 548 | S | 25.3 | Very low | 24.5 | Very low | 91 Ų | 91 | 148.1 Ų | 148.1 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | 61.4 | 91.7 | 71.4 | 78.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 549 | D | 27.7 | Very low | 24.8 | Very low | 161 Ų | 161 | 152.2 Ų | 152.2 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | -160.1 | 139 | 110.7 | -108.2 | -25 | 0 | 0 | 0 | 112.1 | |||||
| 550 | A | 25.4 | Very low | 24.9 | Very low | 98 Ų | 98 | 152 Ų | 152 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -126.2 | 107.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 551 | K | 26.9 | Very low | 25 | Very low | 184 Ų | 184 | 151.2 Ų | 151.2 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | trans | -139.6 | -18.7 | 178.1 | -107 | 173.7 | -175.4 | 169.9 | 0 | 118.3 | ||||
| 552 | D | 28.6 | Very low | 25 | Very low | 150 Ų | 150 | 151.6 Ų | 151.6 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -99.5 | -1.8 | -170.3 | -63.7 | -38.9 | 0 | 0 | 0 | 116.4 | Q554 | D552-Q554 VanDerWaalsContact C-N 3.32Å; D552-Q554 PolarHBondContact O-N 3.46Å |
| 553 | W | 24.4 | Very low | 25 | Very low | 226 Ų | 226 | 156.7 Ų | 156.7 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -80 | -4.1 | -177.2 | -133.4 | -46.3 | 0 | 0 | 0 | 115 | S555 | W553-S555 VanDerWaalsContact C-N 3.28Å; W553-S555 PolarHBondContact O-N 2.9Å |
| 554 | Q | 29.3 | Very low | 25 | Very low | 183 Ų | 183 | 157.9 Ų | 157.9 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | G | 310 helix | trans | -77 | -6.5 | 178.8 | -76.5 | -165.9 | -10.9 | 0 | 0 | 114.9 | D552 | D552-Q554 VanDerWaalsContact C-N 3.32Å; D552-Q554 PolarHBondContact O-N 3.46Å |
| 555 | S | 31.3 | Very low | 25.2 | Very low | 109 Ų | 109 | 154.8 Ų | 154.8 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | G | 310 helix | trans | -89.3 | -14.5 | -177.3 | -68.6 | 0 | 0 | 0 | 0 | 115.6 | W553 | W553-S555 VanDerWaalsContact C-N 3.28Å; W553-S555 PolarHBondContact O-N 2.9Å |
| 556 | I | 26.7 | Very low | 25.3 | Very low | 137 Ų | 137 | 151.9 Ų | 151.9 | 70% | 0.703 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -28.5 | -175.6 | -62.3 | -179.9 | 0 | 0 | 0 | 112.6 | K558 | I556-K558 PolarHBondContact O-N 3.03Š|
| 557 | N | 26.2 | Very low | 25.5 | Very low | 146 Ų | 146 | 147.9 Ų | 147.9 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 34.8 | -176.1 | -152.6 | 7.6 | 0 | 0 | 0 | 114.6 | ||
| 558 | K | 27 | Very low | 25.4 | Very low | 184 Ų | 184 | 142.9 Ų | 142.9 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | 13.4 | -177 | -145.7 | -179.9 | -175.3 | 178.5 | 0 | 114.9 | I556 | I556-K558 PolarHBondContact O-N 3.03Š|
| 559 | K | 27.2 | Very low | 25.4 | Very low | 192 Ų | 192 | 141.6 Ų | 141.6 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -120.2 | 5.5 | -175.6 | -136.2 | 179.6 | -178.1 | -176.3 | 0 | 116.9 | ||
| 560 | L | 23.4 | Very low | 25.1 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 92% | 0.921 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -133.9 | 45 | 174.6 | -81.3 | 169.1 | 0 | 0 | 0 | 112.5 | ||
| 561 | S | 22.1 | Very low | 25.1 | Very low | 92 Ų | 92 | 142.6 Ų | 142.6 | 64% | 0.643 | 74% | 0.739 | S | S | * | * | trans | -115.7 | 58.7 | 178.6 | -51.3 | 0 | 0 | 0 | 0 | 112.3 | K563 | S561-K563 PolarHBondContact O-N 3.29Š| ||
| 562 | L | 22.1 | Very low | 25 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 86% | 0.859 | 74% | 0.742 | S | S | * | * | trans | -88.1 | 93.4 | 172.6 | -84.5 | 165.1 | 0 | 0 | 0 | 110.7 | L564 | L562-L564 PolarHBondContact O-N 2.96Š| ||
| 563 | K | 23.2 | Very low | 24.8 | Very low | 202 Ų | 202 | 137.9 Ų | 137.9 | 88% | 0.878 | 74% | 0.741 | S | S | * | * | trans | -63.3 | 122.1 | 164.7 | -65.4 | 174.2 | 177.4 | 177.7 | 0 | 108.7 | S561 | S561-K563 PolarHBondContact O-N 3.29Š| ||
| 564 | L | 21.9 | Very low | 24.7 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 85% | 0.853 | 73% | 0.728 | S | S | * | * | trans | -118.7 | 124.5 | 166.8 | -77.6 | 163.7 | 0 | 0 | 0 | 109 | L562 | L562-L564 PolarHBondContact O-N 2.96Š| ||
| 565 | S | 24 | Very low | 24.5 | Very low | 95 Ų | 95 | 129 Ų | 129 | 66% | 0.664 | 73% | 0.729 | S | S | * | * | trans | -80.6 | 143.4 | -175.9 | 45.4 | 0 | 0 | 0 | 0 | 111.4 | S567 | S565-S567 PolarHBondContact O-N 3.11Š| ||
| 566 | P | 25.1 | Very low | 24.1 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | trans | -75.1 | 96.9 | 179.9 | 30.9 | -34.3 | 0 | 0 | 0 | 110.9 | ||||
| 567 | S | 22.5 | Very low | 24 | Very low | 73 Ų | 73 | 133.7 Ų | 133.7 | 51% | 0.51 | 74% | 0.737 | S | S | . | * | trans | -127.8 | 120.5 | 148.4 | -32.6 | 0 | 0 | 0 | 0 | 103.3 | S565 | S565-S567 PolarHBondContact O-N 3.11Š| ||
| 568 | D | 23.3 | Very low | 23.8 | Very low | 47 Ų | 47 | 132 Ų | 132 | 25% | 0.251 | 73% | 0.734 | S | S | . | * | 171.1 | 139 | 92.7 | 95.3 | 174.6 | 0 | 0 | 0 | 108.5 | N457 P458 Q459 P460 | N457-D568 PolarHBondContact ND2-OD2 2.92Å; P458-D568 WeakPolarHBondContact O-CA 3.42Å; P458-D568 WeakPolarHBondContact O-CB 3.4Å; Q459-D568 VanDerWaalsContact CA-CB 3.43Å; P460-D568 HydrophobicContact CB-CB 3.6Å; P460-D568 VanDerWaalsContact CD-OD1 3.24Å; P460-D568 WeakPolarHBondContact CD-OD1 3.46Å; P460-D568 HydrophobicContact CG-CB 3.8Å; P460-D568 WeakPolarHBondContact CG-OD1 3.35Å | |||
| 569 | S | 24.2 | Very low | 23.6 | Very low | 65 Ų | 65 | 131.5 Ų | 131.5 | 46% | 0.455 | 74% | 0.739 | S | S | . | * | trans | -156.5 | 65.1 | -175.2 | 67.5 | 0 | 0 | 0 | 0 | 119 | Q459 P460 | Q459-S569 VanDerWaalsContact C-N 3.27Å; Q459-S569 CarbonylContact O-C 2.86Å; Q459-S569 WeakPolarHBondContact O-CA 3.36Å; Q459-S569 PolarHBondContact O-N 3.37Å; Q459-S569 PolarHBondContact O-OG 2.77Å; P460-S569 WeakPolarHBondContact CA-OG 3.45Å | ||
| 570 | L | 23.1 | Very low | 23.5 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 61% | 0.613 | 74% | 0.736 | S | S | * | * | trans | -102.8 | 114.4 | 177.5 | -105.3 | 174.4 | 0 | 0 | 0 | 112.2 | P458 Q459 | P458-L570 HydrophobicContact CB-CB 4.28Å; P458-L570 VanDerWaalsContact CB-N 3.32Å; Q459-L570 HydrophobicContact CB-CD1 4Å; Q459-L570 HydrophobicContact CB-CG 4.21Å; Q459-L570 PolarHBondContact O-N 2.95Å | ||
| 571 | L | 24.3 | Very low | 23.5 | Very low | 162 Ų | 162 | 130.7 Ų | 130.7 | 85% | 0.848 | 73% | 0.733 | S | S | * | * | trans | 168.9 | 81.6 | 143.9 | -95.3 | 170 | 0 | 0 | 0 | 110.3 | ||||
| 572 | S | 24.3 | Very low | 23.6 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 87% | 0.867 | 74% | 0.737 | S | S | * | * | trans | -91 | 99.2 | 168.1 | 55.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 573 | S | 24.2 | Very low | 23.6 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | trans | -147.5 | 93.3 | 166.7 | 60.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 574 | G | 23.2 | Very low | 23.6 | Very low | 56 Ų | 56 | 133.5 Ų | 133.5 | 58% | 0.577 | 74% | 0.74 | S | S | * | * | trans | 173.7 | 85.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | F576 | G574-F576 VanDerWaalsContact C-N 3.34Å; G574-F576 PolarHBondContact O-N 3.08Å | ||
| 575 | N | 24.8 | Very low | 23.7 | Very low | 165 Ų | 165 | 131 Ų | 131 | 88% | 0.882 | 74% | 0.736 | S | S | * | * | trans | -67.3 | 86.6 | -175.2 | -73.1 | -21.5 | 0 | 0 | 0 | 111.4 | I577 | N575-I577 PolarHBondContact O-N 2.88Å; N575-I577 VanDerWaalsContact O-N 3.12Å | ||
| 576 | F | 22.4 | Very low | 23.7 | Very low | 196 Ų | 196 | 135.7 Ų | 135.7 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | trans | -72.7 | 98.5 | 160 | -83.6 | -84.6 | 0 | 0 | 0 | 108.8 | G574 P578 | G574-F576 VanDerWaalsContact C-N 3.34Å; G574-F576 PolarHBondContact O-N 3.08Å; F576-P578 WeakPolarHBondContact O-CD 3.13Å | ||
| 577 | I | 24.5 | Very low | 23.5 | Very low | 149 Ų | 149 | 135 Ų | 135 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | trans | -63.2 | 114 | 160.6 | -62 | 172.9 | 0 | 0 | 0 | 105.8 | N575 L579 | N575-I577 PolarHBondContact O-N 2.88Å; N575-I577 VanDerWaalsContact O-N 3.12Å; I577-L579 PolarHBondContact O-N 3.01Å | ||
| 578 | P | 23.1 | Very low | 23.8 | Very low | 112 Ų | 112 | 137 Ų | 137 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -66.6 | 124.2 | -178.2 | -18 | 32.3 | 0 | 0 | 0 | 108.7 | F576 H580 | F576-P578 WeakPolarHBondContact O-CD 3.13Å; P578-H580 PolarHBondContact O-N 2.68Å | ||
| 579 | L | 23 | Very low | 23.8 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | trans | -55 | 112.6 | 170.5 | -84.8 | 161.8 | 0 | 0 | 0 | 108.3 | I577 Q581 | I577-L579 PolarHBondContact O-N 3.01Å; L579-Q581 PolarHBondContact O-N 2.73Å | ||
| 580 | H | 24 | Very low | 23.7 | Very low | 167 Ų | 167 | 148 Ų | 148 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -56.3 | 122 | -178.3 | -161.1 | -91.5 | 0 | 0 | 0 | 108.2 | P578 S582 | P578-H580 PolarHBondContact O-N 2.68Å; H580-S582 PolarHBondContact O-N 2.85Å | ||
| 581 | Q | 23.6 | Very low | 23.7 | Very low | 185 Ų | 185 | 147.4 Ų | 147.4 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -67.9 | 76 | 168.3 | -76.3 | 180 | -35.9 | 0 | 0 | 108.4 | L579 M583 | L579-Q581 PolarHBondContact O-N 2.73Å; Q581-M583 PolarHBondContact O-N 3.23Å | ||
| 582 | S | 24.3 | Very low | 23.8 | Very low | 102 Ų | 102 | 146.4 Ų | 146.4 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | trans | -64.7 | 102.3 | 166.5 | 54 | 0 | 0 | 0 | 0 | 107.2 | H580 | H580-S582 PolarHBondContact O-N 2.85Š| ||
| 583 | M | 23.5 | Very low | 23.8 | Very low | 174 Ų | 174 | 145 Ų | 145 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | -45 | 145 | -176 | -61.7 | 178 | 179.1 | 0 | 0 | 112.6 | Q581 S585 | Q581-M583 PolarHBondContact O-N 3.23Å; M583-S585 VanDerWaalsContact C-N 3.29Å; M583-S585 PolarHBondContact O-N 3.07Å | ||
| 584 | Y | 23.1 | Very low | 23.8 | Very low | 240 Ų | 240 | 147.4 Ų | 147.4 | 94% | 0.941 | 79% | 0.791 | S | S | * | * | trans | -55.3 | 88.1 | 161.7 | -79.9 | -92.2 | 0 | 0 | 0 | 111.2 | ||||
| 585 | S | 22.9 | Very low | 23.8 | Very low | 110 Ų | 110 | 150.3 Ų | 150.3 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -87.5 | 103.7 | 154.9 | 51.7 | 0 | 0 | 0 | 0 | 107.8 | M583 S587 | M583-S585 VanDerWaalsContact C-N 3.29Å; M583-S585 PolarHBondContact O-N 3.07Å; S585-S587 PolarHBondContact O-N 3.33Å | ||
| 586 | K | 24.1 | Very low | 23.7 | Very low | 195 Ų | 195 | 149.2 Ų | 149.2 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | -55 | 113.7 | 170.5 | -68 | 174.3 | 177.3 | 176.8 | 0 | 108.4 | P588 | K586-P588 VanDerWaalsContact O-CD 3.31Å; K586-P588 WeakPolarHBondContact O-CD 3.37Å | ||
| 587 | S | 22.1 | Very low | 23.8 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 119.2 | 162.1 | 44.7 | 0 | 0 | 0 | 0 | 108 | S585 R589 | S585-S587 PolarHBondContact O-N 3.33Å; S587-R589 PolarHBondContact O-N 3.37Å |
| 588 | P | 27.2 | Very low | 23.7 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 130.9 | 175.7 | -13.3 | 28.2 | 0 | 0 | 0 | 108.5 | K586 P590 | K586-P588 VanDerWaalsContact O-CD 3.31Å; K586-P588 WeakPolarHBondContact O-CD 3.37Å; P588-P590 WeakPolarHBondContact O-CD 3.39Å |
| 589 | R | 23 | Very low | 23.8 | Very low | 229 Ų | 229 | 147.5 Ų | 147.5 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 126.8 | 165.4 | -80.9 | 179 | 167.4 | 179.4 | -5.9 | 108.2 | S587 S591 | S587-R589 PolarHBondContact O-N 3.37Å; R589-S591 PolarHBondContact O-N 2.69Å |
| 590 | P | 23.2 | Very low | 23.9 | Very low | 113 Ų | 113 | 144.6 Ų | 144.6 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -75.2 | 82 | 171 | 31.1 | -32.9 | 0 | 0 | 0 | 108.9 | P588 N592 | P588-P590 WeakPolarHBondContact O-CD 3.39Å; P590-N592 PolarHBondContact O-N 2.85Å | ||
| 591 | S | 23 | Very low | 23.9 | Very low | 106 Ų | 106 | 143.7 Ų | 143.7 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | -74.5 | 67.7 | 166.1 | 57.8 | 0 | 0 | 0 | 0 | 109.5 | R589 S593 | R589-S591 PolarHBondContact O-N 2.69Å; S591-S593 VanDerWaalsContact C-N 3.27Å; S591-S593 PolarHBondContact O-N 2.85Å | ||
| 592 | N | 26.3 | Very low | 24 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | trans | -74.9 | 86 | 171.8 | -83.5 | -3.4 | 0 | 0 | 0 | 109 | P590 L594 | P590-N592 PolarHBondContact O-N 2.85Å; N592-L594 VanDerWaalsContact C-N 3.32Å; N592-L594 PolarHBondContact O-N 3.13Å | ||
| 593 | S | 23.9 | Very low | 24.1 | Very low | 94 Ų | 94 | 143.7 Ų | 143.7 | 66% | 0.657 | 78% | 0.775 | S | S | * | * | trans | -59.8 | 96.4 | 160.4 | 53.6 | 0 | 0 | 0 | 0 | 108.7 | S591 T595 | S591-S593 VanDerWaalsContact C-N 3.27Å; S591-S593 PolarHBondContact O-N 2.85Å; S593-T595 PolarHBondContact O-N 2.98Å | ||
| 594 | L | 23.9 | Very low | 24.1 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | -74.1 | 58.6 | 170 | -93.5 | 153 | 0 | 0 | 0 | 110.6 | N592 N596 | N592-L594 VanDerWaalsContact C-N 3.32Å; N592-L594 PolarHBondContact O-N 3.13Å; L594-N596 VanDerWaalsContact C-N 3.33Å; L594-N596 PolarHBondContact O-N 3.25Å | ||
| 595 | T | 23.6 | Very low | 24.2 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | -79.6 | 85.8 | 157.9 | 49.9 | 0 | 0 | 0 | 0 | 107.9 | S593 | S593-T595 PolarHBondContact O-N 2.98Š| ||
| 596 | N | 24.1 | Very low | 24.4 | Very low | 143 Ų | 143 | 143.4 Ų | 143.4 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | -148.3 | 131.1 | 161.8 | -104 | -31.3 | 0 | 0 | 0 | 111.8 | L594 | L594-N596 VanDerWaalsContact C-N 3.33Å; L594-N596 PolarHBondContact O-N 3.25Å | ||
| 597 | S | 24.3 | Very low | 24.3 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | trans | 60.4 | 80.2 | 162.8 | -57.2 | 0 | 0 | 0 | 0 | 116.6 | H599 | S597-H599 PolarHBondContact O-N 3.35Š| ||
| 598 | I | 22.3 | Very low | 24.3 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 82% | 0.821 | 77% | 0.767 | S | S | * | * | trans | -47.5 | 107.9 | 145.4 | -62 | 168 | 0 | 0 | 0 | 107.9 | ||||
| 599 | H | 24.8 | Very low | 24.1 | Very low | 162 Ų | 162 | 147.9 Ų | 147.9 | 75% | 0.75 | 77% | 0.769 | S | S | * | * | trans | -120.3 | 117.8 | 162 | -100 | 30.7 | 0 | 0 | 0 | 107.9 | S597 I601 | S597-H599 PolarHBondContact O-N 3.35Å; H599-I601 PolarHBondContact O-N 2.98Å | ||
| 600 | S | 24.8 | Very low | 24.1 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | trans | -64 | 87.9 | -174.1 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | K602 | S600-K602 PolarHBondContact O-N 2.92Š| ||
| 601 | I | 23.4 | Very low | 24.1 | Very low | 147 Ų | 147 | 145.4 Ų | 145.4 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | trans | -89.4 | 96 | 162.2 | -59.2 | -178.5 | 0 | 0 | 0 | 107.1 | H599 S603 | H599-I601 PolarHBondContact O-N 2.98Å; I601-S603 PolarHBondContact O-N 3.22Å | ||
| 602 | K | 25.3 | Very low | 24.2 | Very low | 210 Ų | 210 | 148 Ų | 148 | 91% | 0.913 | 77% | 0.77 | S | S | * | * | trans | -76.3 | 90.9 | 167.1 | -76.4 | -177 | 175.1 | -179.2 | 0 | 109 | S600 | S600-K602 PolarHBondContact O-N 2.92Š| ||
| 603 | S | 26.6 | Very low | 24 | Very low | 78 Ų | 78 | 144.6 Ų | 144.6 | 55% | 0.545 | 77% | 0.767 | S | S | . | * | trans | -137.5 | 112 | 160.2 | 48.2 | 0 | 0 | 0 | 0 | 108.7 | I601 E605 | I601-S603 PolarHBondContact O-N 3.22Å; S603-E605 PolarHBondContact O-N 3.47Å; S603-E605 VanDerWaalsContact O-N 3.15Å | ||
| 604 | K | 24.6 | Very low | 23.9 | Very low | 205 Ų | 205 | 148.3 Ų | 148.3 | 89% | 0.891 | 77% | 0.772 | S | S | * | * | trans | -69.1 | 102.8 | 161 | -76.1 | -177.3 | 170.4 | -168.3 | 0 | 106.6 | ||||
| 605 | E | 25.5 | Very low | 23.9 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | trans | -119.9 | 118.1 | 155 | -73 | -174.8 | 153.9 | 0 | 0 | 106.1 | S603 I607 | S603-E605 PolarHBondContact O-N 3.47Å; S603-E605 VanDerWaalsContact O-N 3.15Å; E605-I607 PolarHBondContact O-N 2.88Å | ||
| 606 | D | 25.4 | Very low | 23.9 | Very low | 148 Ų | 148 | 149.1 Ų | 149.1 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -68.6 | 99.3 | -175.6 | -62.6 | -56.6 | 0 | 0 | 0 | 108.3 | K608 | D606-K608 PolarHBondContact O-N 2.82Š| ||
| 607 | I | 23.4 | Very low | 23.9 | Very low | 149 Ų | 149 | 145.5 Ų | 145.5 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | -65.2 | 89.2 | 168.3 | -58.9 | 176.1 | 0 | 0 | 0 | 106.3 | E605 F609 | E605-I607 PolarHBondContact O-N 2.88Å; I607-F609 PolarHBondContact O-N 3.14Å | ||
| 608 | K | 22.1 | Very low | 24 | Very low | 185 Ų | 185 | 144.6 Ų | 144.6 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -58.3 | 106.4 | 165.8 | -72.1 | -176.9 | 178 | -178.6 | 0 | 106.6 | D606 E610 | D606-K608 PolarHBondContact O-N 2.82Å; K608-E610 PolarHBondContact O-N 2.87Å | ||
| 609 | F | 22.8 | Very low | 24.4 | Very low | 182 Ų | 182 | 145 Ų | 145 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | trans | -58.6 | 112.1 | 157 | -84.5 | -97 | 0 | 0 | 0 | 106.3 | I607 T611 | I607-F609 PolarHBondContact O-N 3.14Å; F609-T611 PolarHBondContact O-N 3.12Å; F609-T611 PolarHBondContact O-OG1 3.33Å | ||
| 610 | E | 22.8 | Very low | 24.9 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | trans | -67.2 | 89.6 | 162.4 | -72.7 | -175.5 | 155.1 | 0 | 0 | 106.7 | K608 L612 | K608-E610 PolarHBondContact O-N 2.87Å; E610-L612 PolarHBondContact O-N 3.46Å | ||
| 611 | T | 23.3 | Very low | 25.2 | Very low | 106 Ų | 106 | 139.1 Ų | 139.1 | 65% | 0.65 | 72% | 0.72 | S | S | * | * | trans | -63.4 | 92.1 | 170.5 | -15.5 | 0 | 0 | 0 | 0 | 107.1 | F609 G613 F614 | F609-T611 PolarHBondContact O-N 3.12Å; F609-T611 PolarHBondContact O-OG1 3.33Å; T611-G613 PolarHBondContact O-N 2.95Å; T611-G613 VanDerWaalsContact O-N 3.09Å; T611-F614 HydrophobicContact CG2-CD2 4.13Å; T611-F614 HydrophobicContact CG2-CE2 4.29Å | ||
| 612 | L | 24 | Very low | 25.6 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 85% | 0.848 | 71% | 0.705 | S | S | * | * | trans | -47.5 | 120.4 | 163.5 | -78.4 | 164.1 | 0 | 0 | 0 | 107 | E610 F614 | E610-L612 PolarHBondContact O-N 3.46Å; L612-F614 PolarHBondContact O-N 3.47Å; L612-F614 VanDerWaalsContact O-N 3.09Å | ||
| 613 | G | 23.5 | Very low | 26 | Very low | 67 Ų | 67 | 129.9 Ų | 129.9 | 69% | 0.691 | 68% | 0.679 | S | S | * | * | trans | -56.7 | 115.8 | -154.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T611 I615 | T611-G613 PolarHBondContact O-N 2.95Å; T611-G613 VanDerWaalsContact O-N 3.09Å; G613-I615 VanDerWaalsContact C-N 3.28Å; G613-I615 PolarHBondContact O-N 3.24Å | ||
| 614 | F | 21.3 | Very low | 26.1 | Very low | 173 Ų | 173 | 129.2 Ų | 129.2 | 76% | 0.759 | 68% | 0.684 | S | S | * | * | trans | -63.1 | 96.9 | 156.3 | -78.4 | -88.3 | 0 | 0 | 0 | 107.3 | T611 L612 N616 | T611-F614 HydrophobicContact CG2-CD2 4.13Å; T611-F614 HydrophobicContact CG2-CE2 4.29Å; L612-F614 PolarHBondContact O-N 3.47Å; L612-F614 VanDerWaalsContact O-N 3.09Å; F614-N616 PolarHBondContact O-N 2.92Å | ||
| 615 | I | 24.4 | Very low | 26.3 | Very low | 154 Ų | 154 | 126.7 Ų | 126.7 | 79% | 0.79 | 68% | 0.675 | S | S | * | * | trans | -67.6 | 91 | 161.6 | -60.1 | 178.2 | 0 | 0 | 0 | 105.2 | G613 G617 | G613-I615 VanDerWaalsContact C-N 3.28Å; G613-I615 PolarHBondContact O-N 3.24Å; I615-G617 PolarHBondContact O-N 3.02Å | ||
| 616 | N | 23.3 | Very low | 26.6 | Very low | 143 Ų | 143 | 127 Ų | 127 | 77% | 0.765 | 68% | 0.677 | S | S | * | * | trans | -55.7 | 129.3 | 176.5 | -81.5 | -31.6 | 0 | 0 | 0 | 109.1 | F614 | F614-N616 PolarHBondContact O-N 2.92Š| ||
| 617 | G | 24 | Very low | 26.8 | Very low | 67 Ų | 67 | 125.5 Ų | 125.5 | 69% | 0.691 | 67% | 0.669 | S | S | * | * | trans | 22.6 | 102.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | I615 H619 | I615-G617 PolarHBondContact O-N 3.02Å; G617-H619 PolarHBondContact O-N 3.23Å | ||
| 618 | V | 26.8 | Very low | 27.1 | Very low | 79 Ų | 79 | 127.6 Ų | 127.6 | 48% | 0.479 | 68% | 0.675 | S | S | . | * | trans | -52.4 | 105.9 | 165.7 | 177.5 | 0 | 0 | 0 | 0 | 108.4 | W109 L620 | W109-V618 HydrophobicContact CH2-CG1 4.35Å; W109-V618 HydrophobicContact CZ2-CG1 3.92Å; V618-L620 PolarHBondContact O-N 3.43Å | ||
| 619 | H | 29.8 | Very low | 27.5 | Very low | 167 Ų | 167 | 126.1 Ų | 126.1 | 77% | 0.773 | 67% | 0.671 | S | S | * | * | trans | -59.1 | 128.1 | 166.7 | -123.6 | -88.1 | 0 | 0 | 0 | 106.6 | G617 I621 | G617-H619 PolarHBondContact O-N 3.23Å; H619-I621 PolarHBondContact O-N 2.94Å | ||
| 620 | L | 35.4 | Very low | 28 | Very low | 54 Ų | 54 | 125.1 Ų | 125.1 | 28% | 0.283 | 67% | 0.674 | S | S | . | * | trans | -55.7 | 113.3 | 171.8 | -71.9 | 169.4 | 0 | 0 | 0 | 107.4 | V43 I45 I87 V618 H622 | V43-L620 HydrophobicContact CG1-CD1 3.92Å; I45-L620 HydrophobicContact CD1-CD1 3.61Å; I45-L620 HydrophobicContact CG1-CD1 4Å; I87-L620 HydrophobicContact CG2-CD2 4.41Å; V618-L620 PolarHBondContact O-N 3.43Å; L620-H622 PolarHBondContact O-N 2.75Å | ||
| 621 | I | 32.3 | Very low | 28.6 | Very low | 97 Ų | 97 | 124.1 Ų | 124.1 | 50% | 0.497 | 68% | 0.675 | S | S | . | * | trans | -70.5 | 117.7 | -170.6 | -61.6 | 175.2 | 0 | 0 | 0 | 107.1 | H619 D623 | H619-I621 PolarHBondContact O-N 2.94Å; I621-D623 PolarHBondContact O-N 3.33Å | ||
| 622 | H | 31.4 | Very low | 29.1 | Very low | 94 Ų | 94 | 126.1 Ų | 126.1 | 44% | 0.435 | 68% | 0.681 | S | S | . | * | trans | -60.2 | 123.8 | 162.7 | -123.8 | -38 | 0 | 0 | 0 | 106.5 | E21 L620 G624 | E21-H622 IonicContact OE1-CE1 3.04Å; E21-H622 PolarHBondContact OE1-CE1 3.13Å; E21-H622 IonicContact OE1-NE2 2.82Å; L620-H622 PolarHBondContact O-N 2.75Å; H622-G624 PolarHBondContact O-N 3.04Å | ||
| 623 | D | 32.6 | Very low | 29.8 | Very low | 70 Ų | 70 | 126.1 Ų | 126.1 | 37% | 0.374 | 68% | 0.682 | S | S | . | * | trans | -60.2 | 89.8 | 169.9 | -95.8 | -48.7 | 0 | 0 | 0 | 108.1 | R108 I621 E625 | R108-D623 IonicContact CZ-OD1 3.8Å; R108-D623 IonicContact CZ-OD2 2.71Å; R108-D623 IonicContact NH1-OD1 3.89Å; R108-D623 PolarHBondContact NH1-OD1 3.04Å; R108-D623 IonicContact NH1-OD2 3.75Å; R108-D623 PolarHBondContact NH1-OD2 3.42Å; I621-D623 PolarHBondContact O-N 3.33Å; D623-E625 PolarHBondContact O-N 3.18Å | ||
| 624 | G | 28.9 | Very low | 30.1 | Very low | 63 Ų | 63 | 129.6 Ų | 129.6 | 65% | 0.649 | 69% | 0.685 | S | S | * | * | trans | -68.9 | 109.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | H622 E626 | H622-G624 PolarHBondContact O-N 3.04Å; G624-E626 VanDerWaalsContact C-N 3.33Å; G624-E626 PolarHBondContact O-N 3.46Å | ||
| 625 | E | 29.6 | Very low | 30.8 | Very low | 153 Ų | 153 | 129.1 Ų | 129.1 | 72% | 0.715 | 69% | 0.691 | S | S | * | * | trans | -69.8 | 96.6 | 168.2 | -65 | -169.8 | 142.8 | 0 | 0 | 107.5 | D623 N627 | D623-E625 PolarHBondContact O-N 3.18Å; E625-N627 PolarHBondContact O-N 3.11Å | ||
| 626 | E | 31.7 | Very low | 31.4 | Very low | 170 Ų | 170 | 128 Ų | 128 | 79% | 0.794 | 69% | 0.686 | S | S | * | * | trans | -61.6 | 87.8 | 160.5 | -71.2 | 175.1 | 165.2 | 0 | 0 | 107.2 | G624 E628 | G624-E626 VanDerWaalsContact C-N 3.33Å; G624-E626 PolarHBondContact O-N 3.46Å; E626-E628 PolarHBondContact O-N 3.18Å | ||
| 627 | N | 30.1 | Very low | 31.9 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 63% | 0.626 | 69% | 0.685 | S | S | * | * | trans | -65.5 | 116.3 | 162.6 | -72.4 | -21.5 | 0 | 0 | 0 | 106.8 | E625 E629 | E625-N627 PolarHBondContact O-N 3.11Å; N627-E629 HydrophobicContact CB-CG 4.31Å; N627-E629 PolarHBondContact O-N 3.35Å | ||
| 628 | E | 28.1 | Very low | 32.5 | Very low | 192 Ų | 192 | 132.4 Ų | 132.4 | 90% | 0.897 | 69% | 0.692 | S | S | * | * | trans | -68.7 | 82.3 | 165.8 | -67.8 | 178.9 | 167.1 | 0 | 0 | 107.8 | E626 | E626-E628 PolarHBondContact O-N 3.18Š| ||
| 629 | E | 31.5 | Very low | 32.8 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | trans | -87.6 | 121.3 | 165.1 | -69.9 | -170 | 173.9 | 0 | 0 | 108.7 | N627 D631 | N627-E629 HydrophobicContact CB-CG 4.31Å; N627-E629 PolarHBondContact O-N 3.35Å; E629-D631 PolarHBondContact O-N 3.16Å | ||
| 630 | D | 32.6 | Very low | 33.1 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 86% | 0.856 | 70% | 0.702 | S | S | * | * | trans | -70.3 | 88.7 | 179.9 | -71 | -57.3 | 0 | 0 | 0 | 110.5 | D632 | D630-D632 PolarHBondContact O-N 3.31Š| ||
| 631 | D | 35.8 | Very low | 33 | Very low | 163 Ų | 163 | 138 Ų | 138 | 87% | 0.872 | 73% | 0.725 | S | S | * | * | trans | -70.9 | 69.1 | 175.5 | -96.9 | -22.9 | 0 | 0 | 0 | 112.6 | E629 N633 | E629-D631 PolarHBondContact O-N 3.16Å; D631-N633 PolarHBondContact O-N 3.22Å | ||
| 632 | D | 34.1 | Very low | 33.1 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | -78.1 | 102.1 | 153.4 | -98.3 | -24.6 | 0 | 0 | 0 | 108.3 | D630 | D630-D632 PolarHBondContact O-N 3.31Š| ||
| 633 | N | 37.7 | Very low | 33 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | trans | -174.7 | 137.5 | 136.1 | -93.8 | -51.7 | 0 | 0 | 0 | 113.4 | D631 | D631-N633 PolarHBondContact O-N 3.22Š| ||
| 634 | N | 31.4 | Very low | 32.9 | Very low | 141 Ų | 141 | 149.7 Ų | 149.7 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | -78 | 149.4 | 169.2 | -45 | -87.1 | 0 | 0 | 0 | 110.2 | ||||
| 635 | D | 36.1 | Very low | 32.8 | Very low | 163 Ų | 163 | 152.7 Ų | 152.7 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | -160.5 | 150.5 | 119.3 | -111.8 | -22.1 | 0 | 0 | 0 | 111.9 | |||||
| 636 | D | 36.4 | Very low | 32.6 | Very low | 130 Ų | 130 | 152.3 Ų | 152.3 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | trans | -90.8 | 161.6 | -165.4 | -64 | -59.5 | 0 | 0 | 0 | 115.1 | ||||
| 637 | N | 33.8 | Very low | 32.3 | Very low | 139 Ų | 139 | 149.9 Ų | 149.9 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | 74.1 | 121.5 | 157.8 | -41.8 | -70.7 | 0 | 0 | 0 | 118.8 | ||||
| 638 | I | 36.7 | Very low | 31.9 | Very low | 164 Ų | 164 | 149.7 Ų | 149.7 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | -167.9 | 141.3 | 91.9 | -91.1 | 158.1 | 0 | 0 | 0 | 109 | |||||
| 639 | D | 33.5 | Very low | 31.8 | Very low | 130 Ų | 130 | 149.6 Ų | 149.6 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | -82.4 | 178.6 | -174.2 | -55.3 | -76.6 | 0 | 0 | 0 | 115 | ||||
| 640 | D | 36.4 | Very low | 31.4 | Very low | 143 Ų | 143 | 147.9 Ų | 147.9 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | trans | 81 | 101.1 | 154.3 | -58.9 | -23.4 | 0 | 0 | 0 | 119.7 | ||||
| 641 | D | 32.8 | Very low | 31.2 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | 46.6 | 110.3 | 121.3 | -62.6 | -10.3 | 0 | 0 | 0 | 120 | |||||
| 642 | D | 34.2 | Very low | 30.5 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | -154.8 | 124.9 | 122.1 | -102.6 | -33.5 | 0 | 0 | 0 | 109.9 | D644 | D642-D644 PolarHBondContact O-N 3.22Š| |||
| 643 | E | 29.5 | Very low | 30 | Very low | 193 Ų | 193 | 145.6 Ų | 145.6 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -69.9 | 120.1 | 166.2 | -76.2 | -167.4 | 166.3 | 0 | 0 | 108.8 | ||||
| 644 | D | 29.3 | Very low | 29.3 | Very low | 149 Ų | 149 | 143.8 Ų | 143.8 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -147.3 | 140.8 | 153.4 | -127.2 | -26.1 | 0 | 0 | 0 | 114.2 | D642 I646 | D642-D644 PolarHBondContact O-N 3.22Å; D644-I646 PolarHBondContact O-N 2.84Å; D644-I646 VanDerWaalsContact O-N 3.12Å | ||
| 645 | V | 27.7 | Very low | 28.9 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | -81.3 | 94.6 | -166.6 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | T647 | V645-T647 PolarHBondContact O-N 3.5Š| ||
| 646 | I | 24.4 | Very low | 28.3 | Very low | 145 Ų | 145 | 145 Ų | 145 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | trans | -96.8 | 84.9 | 173 | -54.1 | -176.9 | 0 | 0 | 0 | 110.7 | D644 | D644-I646 PolarHBondContact O-N 2.84Å; D644-I646 VanDerWaalsContact O-N 3.12Å | ||
| 647 | T | 25.2 | Very low | 27.6 | Very low | 120 Ų | 120 | 147.2 Ų | 147.2 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -78.4 | 109.7 | 145.2 | 52.3 | 0 | 0 | 0 | 0 | 108.6 | V645 | V645-T647 PolarHBondContact O-N 3.5Š| ||
| 648 | T | 22.4 | Very low | 27 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 69% | 0.687 | 79% | 0.786 | S | S | * | * | trans | -172.5 | 145.5 | 145.4 | 20.4 | 0 | 0 | 0 | 0 | 111.7 | T650 | T648-T650 PolarHBondContact O-N 3.09Š| ||
| 649 | E | 26.6 | Very low | 26.4 | Very low | 190 Ų | 190 | 146.9 Ų | 146.9 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | -61.6 | 110.1 | 173.8 | -60.5 | 160.8 | 133.9 | 0 | 0 | 110.8 | T651 | E649-T651 PolarHBondContact O-N 3.24Š| ||
| 650 | T | 23.5 | Very low | 25.9 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | trans | -98.4 | 85.7 | 175.3 | 25.8 | 0 | 0 | 0 | 0 | 111.4 | T648 V652 | T648-T650 PolarHBondContact O-N 3.09Å; T650-V652 VanDerWaalsContact C-N 3.35Å; T650-V652 PolarHBondContact O-N 2.94Å | ||
| 651 | T | 27.3 | Very low | 25.3 | Very low | 132 Ų | 132 | 148.2 Ų | 148.2 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -62.8 | 94.2 | 156.1 | 36.2 | 0 | 0 | 0 | 0 | 110 | E649 | E649-T651 PolarHBondContact O-N 3.24Š| ||
| 652 | V | 22.4 | Very low | 24.8 | Very low | 120 Ų | 120 | 148.6 Ų | 148.6 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -115.7 | 85 | 169.3 | -177.2 | 0 | 0 | 0 | 0 | 106.9 | T650 | T650-V652 VanDerWaalsContact C-N 3.35Å; T650-V652 PolarHBondContact O-N 2.94Å | ||
| 653 | Q | 21.9 | Very low | 24.3 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | 68.2 | 121 | 96.8 | -74.1 | -160.6 | -4.1 | 0 | 0 | 114.5 | S655 | Q653-S655 PolarHBondContact O-N 3.39Å; Q653-S655 VanDerWaalsContact O-N 3.08Å | |||
| 654 | S | 23.6 | Very low | 24 | Very low | 123 Ų | 123 | 145 Ų | 145 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -67 | 95.9 | -176.7 | 45.3 | 0 | 0 | 0 | 0 | 114 | R656 | S654-R656 PolarHBondContact O-N 2.78Š| ||
| 655 | S | 22.4 | Very low | 23.7 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -86.1 | 88.3 | 163.2 | 36.8 | 0 | 0 | 0 | 0 | 110.9 | Q653 F657 | Q653-S655 PolarHBondContact O-N 3.39Å; Q653-S655 VanDerWaalsContact O-N 3.08Å; S655-F657 PolarHBondContact O-N 2.61Å; S655-F657 VanDerWaalsContact O-N 3.09Å | ||
| 656 | R | 24.8 | Very low | 23.6 | Very low | 219 Ų | 219 | 142 Ų | 142 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | trans | -15.9 | 101.6 | 164.2 | -64.5 | 168.5 | 172.9 | 155.3 | -3.5 | 115.4 | S654 | S654-R656 PolarHBondContact O-N 2.78Š| ||
| 657 | F | 21.2 | Very low | 23.5 | Very low | 175 Ų | 175 | 143.5 Ų | 143.5 | 77% | 0.768 | 78% | 0.776 | S | S | * | * | trans | -99 | 90.3 | 145.4 | -115.9 | -99.7 | 0 | 0 | 0 | 108.1 | S655 E659 | S655-F657 PolarHBondContact O-N 2.61Å; S655-F657 VanDerWaalsContact O-N 3.09Å; F657-E659 VanDerWaalsContact C-N 3.29Å; F657-E659 HydrophobicContact CD1-CB 4.26Å; F657-E659 HydrophobicContact CD1-CG 4.35Å; F657-E659 HydrophobicContact CE1-CG 4.39Å; F657-E659 PolarHBondContact O-N 3.02Å | ||
| 658 | I | 21.9 | Very low | 23.5 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | -89.9 | 80.4 | 162.2 | -59.6 | 176.1 | 0 | 0 | 0 | 105 | L660 | I658-L660 PolarHBondContact O-N 3.46Š| ||
| 659 | E | 24.4 | Very low | 23.6 | Very low | 153 Ų | 153 | 149.9 Ų | 149.9 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | trans | -78.7 | 103.2 | 166 | -128.9 | 170.5 | -167.7 | 0 | 0 | 108.3 | F657 I661 | F657-E659 VanDerWaalsContact C-N 3.29Å; F657-E659 HydrophobicContact CD1-CB 4.26Å; F657-E659 HydrophobicContact CD1-CG 4.35Å; F657-E659 HydrophobicContact CE1-CG 4.39Å; F657-E659 PolarHBondContact O-N 3.02Å; E659-I661 PolarHBondContact O-N 3.48Å; E659-I661 VanDerWaalsContact O-N 3.13Å | ||
| 660 | L | 21.9 | Very low | 23.4 | Very low | 150 Ų | 150 | 150.9 Ų | 150.9 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -4 | 97.6 | 164.6 | -69 | 155.6 | 0 | 0 | 0 | 114.7 | I658 D662 | I658-L660 PolarHBondContact O-N 3.46Å; L660-D662 PolarHBondContact O-N 3.02Å | ||
| 661 | I | 23.2 | Very low | 23.4 | Very low | 151 Ų | 151 | 153.7 Ų | 153.7 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | trans | -60.1 | 95.5 | 153.8 | -61.2 | 171 | 0 | 0 | 0 | 106.4 | E659 K663 | E659-I661 PolarHBondContact O-N 3.48Å; E659-I661 VanDerWaalsContact O-N 3.13Å; I661-K663 VanDerWaalsContact C-N 3.31Å; I661-K663 HydrophobicContact CG2-CG 4.43Å; I661-K663 PolarHBondContact O-N 2.98Å | ||
| 662 | D | 23.3 | Very low | 23.3 | Very low | 151 Ų | 151 | 156.3 Ų | 156.3 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | -64.3 | 97.9 | 165.7 | -110.4 | -16.2 | 0 | 0 | 0 | 107.1 | L660 P664 | L660-D662 PolarHBondContact O-N 3.02Å; D662-P664 VanDerWaalsContact O-CD 3.27Å; D662-P664 WeakPolarHBondContact O-CD 3.24Å | ||
| 663 | K | 23.9 | Very low | 23.4 | Very low | 156 Ų | 156 | 157 Ų | 157 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | -64.3 | 121.9 | 177.8 | -69.8 | 178.4 | 176.2 | -179 | 0 | 108.2 | I661 N665 | I661-K663 VanDerWaalsContact C-N 3.31Å; I661-K663 HydrophobicContact CG2-CG 4.43Å; I661-K663 PolarHBondContact O-N 2.98Å; K663-N665 PolarHBondContact O-N 2.99Å | ||
| 664 | P | 23 | Very low | 23.5 | Very low | 126 Ų | 126 | 155.9 Ų | 155.9 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -70.6 | 82.4 | 163.1 | 30.6 | -32.3 | 0 | 0 | 0 | 108.2 | D662 G666 | D662-P664 VanDerWaalsContact O-CD 3.27Å; D662-P664 WeakPolarHBondContact O-CD 3.24Å; P664-G666 VanDerWaalsContact C-N 3.3Å; P664-G666 PolarHBondContact O-N 2.99Å | ||
| 665 | N | 23.1 | Very low | 23.5 | Very low | 155 Ų | 155 | 157.1 Ų | 157.1 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | -69.6 | 92.5 | 163.2 | -81.7 | -10.9 | 0 | 0 | 0 | 107.3 | K663 | K663-N665 PolarHBondContact O-N 2.99Š| ||
| 666 | G | 24.5 | Very low | 23.5 | Very low | 57 Ų | 57 | 158.4 Ų | 158.4 | 59% | 0.588 | 79% | 0.788 | S | S | * | * | trans | -160.2 | 82.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | P664 E668 | P664-G666 VanDerWaalsContact C-N 3.3Å; P664-G666 PolarHBondContact O-N 2.99Å; G666-E668 PolarHBondContact O-N 3.27Å | ||
| 667 | D | 24 | Very low | 23.5 | Very low | 177 Ų | 177 | 153.3 Ų | 153.3 | 95% | 0.947 | 78% | 0.781 | S | S | * | * | trans | -66.4 | 75.8 | 166.8 | -70.9 | -58.6 | 0 | 0 | 0 | 109.9 | ||||
| 668 | E | 23.6 | Very low | 23.5 | Very low | 182 Ų | 182 | 152 Ų | 152 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -110.4 | 109.9 | 167 | -68.4 | -155.5 | 153.8 | 0 | 0 | 110.2 | G666 F670 | G666-E668 PolarHBondContact O-N 3.27Å; E668-F670 PolarHBondContact O-N 3.47Å | ||
| 669 | Q | 25.1 | Very low | 23.6 | Very low | 184 Ų | 184 | 151.1 Ų | 151.1 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -58.2 | 131.4 | -177.5 | -68.9 | 168.1 | -35.6 | 0 | 0 | 111.1 | K671 | Q669-K671 PolarHBondContact O-N 3.07Š| ||
| 670 | F | 21.5 | Very low | 23.7 | Very low | 211 Ų | 211 | 151 Ų | 151 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | trans | -41.9 | 112.6 | 167.5 | -75 | -96.8 | 0 | 0 | 0 | 111.3 | E668 | E668-F670 PolarHBondContact O-N 3.47Š| ||
| 671 | K | 25.1 | Very low | 23.8 | Very low | 177 Ų | 177 | 149.9 Ų | 149.9 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -108.8 | 113.1 | 159 | -75.8 | -173.1 | 175.4 | -179.3 | 0 | 108.1 | Q669 D673 | Q669-K671 PolarHBondContact O-N 3.07Å; K671-D673 PolarHBondContact O-N 2.88Å | ||
| 672 | E | 24.6 | Very low | 24 | Very low | 187 Ų | 187 | 150.8 Ų | 150.8 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -73.7 | 72.9 | 174 | -64.9 | 176.2 | 120.2 | 0 | 0 | 110.3 | ||||
| 673 | D | 25.3 | Very low | 24.1 | Very low | 135 Ų | 135 | 152 Ų | 152 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | -125.2 | 59.1 | 178 | -79.7 | -49.3 | 0 | 0 | 0 | 110.9 | K671 | K671-D673 PolarHBondContact O-N 2.88Š| ||
| 674 | D | 22.9 | Very low | 24.3 | Very low | 148 Ų | 148 | 152.3 Ų | 152.3 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -148.6 | 32.4 | 164.8 | -111 | -25 | 0 | 0 | 0 | 113.3 | I676 | D674-I676 VanDerWaalsContact C-N 3.28Å; D674-I676 PolarHBondContact O-N 3.13Å | ||
| 675 | I | 23.7 | Very low | 24.4 | Very low | 149 Ų | 149 | 153 Ų | 153 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -73.1 | 93 | 157.8 | -61.8 | -179 | 0 | 0 | 0 | 107 | T677 | I675-T677 VanDerWaalsContact C-N 3.29Å; I675-T677 PolarHBondContact O-N 3.32Å; I675-T677 PolarHBondContact O-OG1 2.78Å; I675-T677 VanDerWaalsContact O-OG1 3.13Å | ||
| 676 | I | 23.4 | Very low | 24.6 | Very low | 140 Ų | 140 | 153.1 Ų | 153.1 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | trans | -56.1 | 93.9 | 174.2 | -62.4 | 174.1 | 0 | 0 | 0 | 108.5 | D674 L678 | D674-I676 VanDerWaalsContact C-N 3.28Å; D674-I676 PolarHBondContact O-N 3.13Å; I676-L678 PolarHBondContact O-N 2.85Å; I676-L678 VanDerWaalsContact O-N 3.07Å | ||
| 677 | T | 23.6 | Very low | 24.7 | Very low | 112 Ų | 112 | 158.3 Ų | 158.3 | 69% | 0.687 | 81% | 0.805 | S | S | * | * | trans | -74.2 | 103.3 | -178.7 | -62 | 0 | 0 | 0 | 0 | 107.4 | I675 N679 | I675-T677 VanDerWaalsContact C-N 3.29Å; I675-T677 PolarHBondContact O-N 3.32Å; I675-T677 PolarHBondContact O-OG1 2.78Å; I675-T677 VanDerWaalsContact O-OG1 3.13Å; T677-N679 PolarHBondContact O-N 2.96Å | ||
| 678 | L | 22.5 | Very low | 24.8 | Very low | 146 Ų | 146 | 154.1 Ų | 154.1 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -59.8 | 97.5 | 176.8 | -79 | 165.2 | 0 | 0 | 0 | 109.5 | I676 N680 | I676-L678 PolarHBondContact O-N 2.85Å; I676-L678 VanDerWaalsContact O-N 3.07Å; L678-N680 VanDerWaalsContact C-N 3.25Å; L678-N680 PolarHBondContact O-N 3Å | ||
| 679 | N | 23.5 | Very low | 25.1 | Very low | 126 Ų | 126 | 153.5 Ų | 153.5 | 67% | 0.674 | 79% | 0.792 | S | S | * | * | trans | -79.8 | 71.2 | -167.2 | -161.6 | 1.2 | 0 | 0 | 0 | 110.8 | T677 N681 | T677-N679 PolarHBondContact O-N 2.96Å; N679-N681 PolarHBondContact O-N 2.88Å; N679-N681 PolarHBondContact OD1-ND2 3.28Å | ||
| 680 | N | 25.3 | Very low | 25.2 | Very low | 151 Ų | 151 | 152.7 Ų | 152.7 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -73.9 | 67.6 | 175.2 | -77.7 | -16.1 | 0 | 0 | 0 | 111 | L678 | L678-N680 VanDerWaalsContact C-N 3.25Å; L678-N680 PolarHBondContact O-N 3Å | ||
| 681 | N | 25.1 | Very low | 25.5 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | trans | -121.9 | 55.1 | 174.9 | -79.2 | -55.1 | 0 | 0 | 0 | 111.3 | N679 | N679-N681 PolarHBondContact O-N 2.88Å; N679-N681 PolarHBondContact OD1-ND2 3.28Å | ||
| 682 | N | 27.3 | Very low | 25.7 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 90% | 0.904 | 77% | 0.766 | S | S | * | * | trans | -105.5 | 92.2 | 156.3 | -81.6 | -23 | 0 | 0 | 0 | 108.2 | D684 | N682-D684 PolarHBondContact O-N 3.5Š| ||
| 683 | H | 25.6 | Very low | 26 | Very low | 176 Ų | 176 | 141.7 Ų | 141.7 | 82% | 0.815 | 75% | 0.752 | S | S | * | * | trans | -58.8 | 113.9 | 154.3 | -93.3 | -58.4 | 0 | 0 | 0 | 108.1 | ||||
| 684 | D | 27 | Very low | 26.2 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | trans | -144.4 | 133.8 | 134 | -96.3 | -40.8 | 0 | 0 | 0 | 108.5 | N682 D686 | N682-D684 PolarHBondContact O-N 3.5Å; D684-D686 PolarHBondContact O-N 3.25Å | ||
| 685 | N | 26.8 | Very low | 26.6 | Very low | 141 Ų | 141 | 143.7 Ų | 143.7 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | trans | -74.5 | 114.7 | -176.4 | -70.4 | -66.4 | 0 | 0 | 0 | 109.8 | ||||
| 686 | D | 25.5 | Very low | 26.8 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | trans | -136.6 | 117.3 | 149.6 | -96.5 | -41.8 | 0 | 0 | 0 | 110.2 | D684 S688 | D684-D686 PolarHBondContact O-N 3.25Å; D686-S688 PolarHBondContact O-N 3.23Å | ||
| 687 | N | 28.2 | Very low | 27.2 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 88% | 0.882 | 73% | 0.729 | S | S | * | * | trans | -75.3 | 87.5 | -178.7 | -76.6 | -51.2 | 0 | 0 | 0 | 110.4 | ||||
| 688 | S | 26.3 | Very low | 27.4 | Very low | 90 Ų | 90 | 139.5 Ų | 139.5 | 63% | 0.629 | 72% | 0.724 | S | S | * | * | trans | -110 | 102.2 | 161.8 | 54.9 | 0 | 0 | 0 | 0 | 110.1 | D686 H690 | D686-S688 PolarHBondContact O-N 3.23Å; S688-H690 VanDerWaalsContact C-N 3.32Å; S688-H690 PolarHBondContact O-N 2.89Å | ||
| 689 | N | 28.5 | Very low | 27.6 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 90% | 0.898 | 72% | 0.719 | S | S | * | * | trans | -62.2 | 92.3 | 169.6 | -84.3 | -19.7 | 0 | 0 | 0 | 109.4 | N691 | N689-N691 PolarHBondContact O-N 2.9Š| ||
| 690 | H | 27.8 | Very low | 28 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | trans | -72.2 | 99.5 | 166.2 | -103.9 | -61.9 | 0 | 0 | 0 | 108.9 | S688 I692 | S688-H690 VanDerWaalsContact C-N 3.32Å; S688-H690 PolarHBondContact O-N 2.89Å; H690-I692 PolarHBondContact O-N 2.89Å; H690-I692 VanDerWaalsContact O-N 3.15Å | ||
| 691 | N | 27.8 | Very low | 28.3 | Very low | 101 Ų | 101 | 139 Ų | 139 | 54% | 0.54 | 71% | 0.71 | S | S | . | * | trans | -55.5 | 115.8 | 160.7 | -104.7 | -30.9 | 0 | 0 | 0 | 108.1 | Y514 N689 | Y514-N691 WeakPolarHBondContact CE2-ND2 3.24Å; Y514-N691 PolarHBondContact OH-ND2 2.92Å; Y514-N691 VanDerWaalsContact OH-ND2 3.07Å; N689-N691 PolarHBondContact O-N 2.9Å | ||
| 692 | I | 28.9 | Very low | 28.6 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 68% | 0.682 | 70% | 0.699 | S | S | * | * | trans | -79.3 | 117.5 | 170.3 | -64.6 | 172.4 | 0 | 0 | 0 | 106.1 | H690 E694 | H690-I692 PolarHBondContact O-N 2.89Å; H690-I692 VanDerWaalsContact O-N 3.15Å; I692-E694 PolarHBondContact O-N 3.24Å | ||
| 693 | D | 31.2 | Very low | 28.7 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 59% | 0.588 | 68% | 0.682 | S | S | * | * | trans | -60.2 | 123.9 | -176.4 | -82.9 | -47.7 | 0 | 0 | 0 | 111.6 | K695 D696 | D693-K695 PolarHBondContact O-N 2.7Å; D693-D696 PolarHBondContact O-N 3.37Å; D693-D696 VanDerWaalsContact O-N 3.14Å | ||
| 694 | E | 29.6 | Very low | 29.1 | Very low | 159 Ų | 159 | 130.5 Ų | 130.5 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -55.2 | -16.2 | -179.6 | -76.6 | -179.5 | 129.1 | 0 | 0 | 114.4 | I692 D696 I697 L698 | I692-E694 PolarHBondContact O-N 3.24Å; E694-D696 VanDerWaalsContact C-N 3.32Å; E694-D696 PolarHBondContact O-N 3.17Å; E694-I697 PolarHBondContact O-N 3.47Å; E694-L698 PolarHBondContact O-N 2.97Å |
| 695 | K | 30.9 | Very low | 29.3 | Very low | 167 Ų | 167 | 128 Ų | 128 | 73% | 0.726 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -61 | -36 | 175.9 | -89.5 | -178.2 | 174.1 | 174 | 0 | 113.6 | D693 L699 | D693-K695 PolarHBondContact O-N 2.7Å; K695-L699 PolarHBondContact O-N 3.02Å |
| 696 | D | 28.4 | Very low | 29.4 | Very low | 110 Ų | 110 | 125 Ų | 125 | 59% | 0.588 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -80.6 | -25.6 | -176.2 | -75.4 | -9.4 | 0 | 0 | 0 | 112.5 | D693 E694 K700 | D693-D696 PolarHBondContact O-N 3.37Å; D693-D696 VanDerWaalsContact O-N 3.14Å; E694-D696 VanDerWaalsContact C-N 3.32Å; E694-D696 PolarHBondContact O-N 3.17Å; D696-K700 PolarHBondContact O-N 2.99Å |
| 697 | I | 31.1 | Very low | 30.1 | Very low | 91 Ų | 91 | 123 Ų | 123 | 47% | 0.467 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -70.6 | -47.3 | 173.4 | -61.3 | 174.8 | 0 | 0 | 0 | 109.8 | E694 L699 K700 E701 | E694-I697 PolarHBondContact O-N 3.47Å; I697-L699 PolarHBondContact O-N 2.91Å; I697-K700 PolarHBondContact O-N 3.18Å; I697-E701 PolarHBondContact O-N 3.3Å; I697-E701 VanDerWaalsContact O-N 3.09Å |
| 698 | L | 27.5 | Very low | 30.8 | Very low | 111 Ų | 111 | 120.7 Ų | 120.7 | 58% | 0.581 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -62.8 | -25.9 | 177.3 | -88.7 | 165.3 | 0 | 0 | 0 | 114 | E694 V702 | E694-L698 PolarHBondContact O-N 2.97Å; L698-V702 WeakPolarHBondContact O-CB 3.24Å; L698-V702 WeakPolarHBondContact O-CG2 3.39Å |
| 699 | L | 28.1 | Very low | 31.5 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 65% | 0.649 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -81.1 | -31.9 | 175.1 | -83.5 | 164.8 | 0 | 0 | 0 | 113.1 | K695 I697 S703 | K695-L699 PolarHBondContact O-N 3.02Å; I697-L699 PolarHBondContact O-N 2.91Å; L699-S703 WeakPolarHBondContact O-CB 3.29Å; L699-S703 PolarHBondContact O-N 3.43Å |
| 700 | K | 31.7 | Very low | 31.9 | Very low | 153 Ų | 153 | 116 Ų | 116 | 67% | 0.665 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71.2 | -49.8 | 173.8 | -87.3 | -175.7 | 170.9 | 179.9 | 0 | 112.5 | D696 I697 V702 S703 D704 | D696-K700 PolarHBondContact O-N 2.99Å; I697-K700 PolarHBondContact O-N 3.18Å; K700-V702 PolarHBondContact O-N 2.8Å; K700-S703 PolarHBondContact O-N 3.18Å; K700-D704 PolarHBondContact O-N 2.9Å |
| 701 | E | 31.5 | Very low | 32.3 | Very low | 136 Ų | 136 | 111.9 Ų | 111.9 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.5 | -26.5 | -179.6 | -68.9 | -171.6 | 156.8 | 0 | 0 | 113.4 | I697 | I697-E701 PolarHBondContact O-N 3.3Å; I697-E701 VanDerWaalsContact O-N 3.09Å |
| 702 | V | 29.9 | Very low | 33 | Very low | 74 Ų | 74 | 111.3 Ų | 111.3 | 45% | 0.448 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -82.5 | -24.3 | 174.3 | 175.3 | 0 | 0 | 0 | 0 | 112.4 | L698 K700 M706 | L698-V702 WeakPolarHBondContact O-CB 3.24Å; L698-V702 WeakPolarHBondContact O-CG2 3.39Å; K700-V702 PolarHBondContact O-N 2.8Å; V702-M706 HydrophobicContact CG1-CE 4.37Å; V702-M706 HydrophobicContact CG1-SD 4.38Å |
| 703 | S | 30.3 | Very low | 33.6 | Very low | 78 Ų | 78 | 110.3 Ų | 110.3 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -79 | -36.8 | -179.9 | -171 | 0 | 0 | 0 | 0 | 113.1 | L699 K700 D705 | L699-S703 WeakPolarHBondContact O-CB 3.29Å; L699-S703 PolarHBondContact O-N 3.43Å; K700-S703 PolarHBondContact O-N 3.18Å; S703-D705 VanDerWaalsContact C-N 3.29Å; S703-D705 PolarHBondContact O-N 3.35Å |
| 704 | D | 34.5 | Very low | 33.9 | Very low | 142 Ų | 142 | 108.1 Ų | 108.1 | 76% | 0.759 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -16.4 | -175.8 | -65 | -21.1 | 0 | 0 | 0 | 112.7 | K700 | K700-D704 PolarHBondContact O-N 2.9Š|
| 705 | D | 30.7 | Very low | 34.5 | Very low | 111 Ų | 111 | 107.3 Ų | 107.3 | 59% | 0.594 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | 12.2 | -166 | -144.7 | 47.1 | 0 | 0 | 0 | 113.5 | S703 K876 | S703-D705 VanDerWaalsContact C-N 3.29Å; S703-D705 PolarHBondContact O-N 3.35Å; D705-K876 IonicContact OD2-NZ 2.69Å; D705-K876 PolarHBondContact OD2-NZ 3.32Å |
| 706 | M | 29.6 | Very low | 35.1 | Very low | 79 Ų | 79 | 105.6 Ų | 105.6 | 39% | 0.389 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -116.8 | 111.9 | 175.8 | -80.2 | -154.9 | 171.1 | 0 | 0 | 112.6 | V702 L708 | V702-M706 HydrophobicContact CG1-CE 4.37Å; V702-M706 HydrophobicContact CG1-SD 4.38Å; M706-L708 PolarHBondContact O-N 3.32Å |
| 707 | D | 40.4 | Very low | 35.6 | Very low | 113 Ų | 113 | 105.3 Ų | 105.3 | 60% | 0.604 | 54% | 0.542 | S | S | * | . | trans | -51.7 | 134 | 174.2 | -175.6 | 11.8 | 0 | 0 | 0 | 111.8 | N709 C710 | D707-N709 PolarHBondContact O-N 3.38Å; D707-C710 WeakPolarHBondContact O-CB 3.41Å; D707-C710 PolarHBondContact O-N 3.04Å | ||
| 708 | L | 42.9 | Very low | 35.9 | Very low | 117 Ų | 117 | 104.6 Ų | 104.6 | 61% | 0.613 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -55 | -31.6 | -167.2 | -175.9 | 64.2 | 0 | 0 | 0 | 112.8 | M706 C710 L711 I712 | M706-L708 PolarHBondContact O-N 3.32Å; L708-C710 VanDerWaalsContact C-N 3.32Å; L708-C710 PolarHBondContact O-N 3.41Å; L708-L711 PolarHBondContact O-N 3.27Å; L708-I712 HydrophobicContact CG-CD1 4.1Å; L708-I712 WeakPolarHBondContact O-CG1 3.37Å; L708-I712 PolarHBondContact O-N 3.5Å |
| 709 | N | 40.4 | Very low | 36.4 | Very low | 101 Ų | 101 | 103.4 Ų | 103.4 | 54% | 0.54 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.1 | -30.9 | 176.1 | -73.5 | -48.6 | 0 | 0 | 0 | 113.6 | D707 N713 | D707-N709 PolarHBondContact O-N 3.38Å; N709-N713 WeakPolarHBondContact O-CB 3.21Å; N709-N713 PolarHBondContact O-N 3.12Å; N709-N713 VanDerWaalsContact O-N 3.14Å; N709-N713 PolarHBondContact O-ND2 3.36Å |
| 710 | C | 37.7 | Very low | 37.1 | Very low | 59 Ų | 59 | 100.4 Ų | 100.4 | 40% | 0.399 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.3 | -42.9 | 173.6 | -78.1 | 0 | 0 | 0 | 0 | 111.4 | D707 L708 I712 N713 L714 | D707-C710 WeakPolarHBondContact O-CB 3.41Å; D707-C710 PolarHBondContact O-N 3.04Å; L708-C710 VanDerWaalsContact C-N 3.32Å; L708-C710 PolarHBondContact O-N 3.41Å; C710-I712 PolarHBondContact O-N 3.5Å; C710-N713 PolarHBondContact O-N 3.42Å; C710-L714 WeakPolarHBondContact O-CB 3.06Å; C710-L714 PolarHBondContact O-N 3.35Å |
| 711 | L | 34.7 | Very low | 37.3 | Very low | 81 Ų | 81 | 96.1 Ų | 96.1 | 42% | 0.424 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 175.6 | -94.2 | 157.8 | 0 | 0 | 0 | 112.2 | L708 L714 K715 | L708-L711 PolarHBondContact O-N 3.27Å; L711-L714 PolarHBondContact O-N 3.25Å; L711-K715 WeakPolarHBondContact O-CB 3.38Å; L711-K715 PolarHBondContact O-N 3.36Å |
| 712 | I | 42.7 | Very low | 37.5 | Very low | 89 Ų | 89 | 92.9 Ų | 92.9 | 46% | 0.456 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 175.8 | -68.2 | 166.7 | 0 | 0 | 0 | 110.9 | L708 C710 K715 H716 | L708-I712 HydrophobicContact CG-CD1 4.1Å; L708-I712 WeakPolarHBondContact O-CG1 3.37Å; L708-I712 PolarHBondContact O-N 3.5Å; C710-I712 PolarHBondContact O-N 3.5Å; I712-K715 PolarHBondContact O-N 3.11Å; I712-H716 WeakPolarHBondContact O-CB 3.25Å; I712-H716 PolarHBondContact O-N 3.03Å |
| 713 | N | 41.1 | Very low | 37.9 | Very low | 111 Ų | 111 | 95.3 Ų | 95.3 | 59% | 0.594 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.2 | -41.9 | 179.1 | -80.9 | -49.2 | 0 | 0 | 0 | 112.6 | N709 C710 H716 K717 | N709-N713 WeakPolarHBondContact O-CB 3.21Å; N709-N713 PolarHBondContact O-N 3.12Å; N709-N713 VanDerWaalsContact O-N 3.14Å; N709-N713 PolarHBondContact O-ND2 3.36Å; C710-N713 PolarHBondContact O-N 3.42Å; N713-H716 PolarHBondContact O-N 3.46Å; N713-K717 WeakPolarHBondContact O-CB 3.39Å; N713-K717 PolarHBondContact O-N 2.97Å |
| 714 | L | 38.2 | Very low | 38.3 | Very low | 64 Ų | 64 | 97.4 Ų | 97.4 | 34% | 0.335 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61 | -47.8 | 176.4 | -171.7 | 70.6 | 0 | 0 | 0 | 111 | C710 L711 H716 K717 I718 L872 | C710-L714 WeakPolarHBondContact O-CB 3.06Å; C710-L714 PolarHBondContact O-N 3.35Å; L711-L714 PolarHBondContact O-N 3.25Å; L714-H716 VanDerWaalsContact C-N 3.33Å; L714-H716 PolarHBondContact O-N 3.35Å; L714-K717 PolarHBondContact O-N 3.47Å; L714-K717 VanDerWaalsContact O-N 3.16Å; L714-I718 HydrophobicContact CG-CD1 4.06Å; L714-I718 WeakPolarHBondContact O-CG1 3.23Å; L714-I718 PolarHBondContact O-N 2.97Å; L714-L872 HydrophobicContact CD1-CD1 4.05Å |
| 715 | K | 41.9 | Very low | 38.2 | Very low | 143 Ų | 143 | 92.7 Ų | 92.7 | 62% | 0.622 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -58.2 | -43.3 | 175.8 | -174.8 | 174.7 | -177.1 | 174.5 | 0 | 112 | L711 I712 K717 I718 N719 | L711-K715 WeakPolarHBondContact O-CB 3.38Å; L711-K715 PolarHBondContact O-N 3.36Å; I712-K715 PolarHBondContact O-N 3.11Å; K715-K717 VanDerWaalsContact C-N 3.33Å; K715-K717 PolarHBondContact O-N 3.27Å; K715-I718 PolarHBondContact O-N 3.39Å; K715-N719 PolarHBondContact O-N 3.14Å |
| 716 | H | 44.7 | Very low | 38.5 | Very low | 130 Ų | 130 | 93.6 Ų | 93.6 | 60% | 0.602 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.6 | -36.9 | 178.1 | -147.7 | -61.5 | 0 | 0 | 0 | 112.1 | I712 N713 L714 T720 | I712-H716 WeakPolarHBondContact O-CB 3.25Å; I712-H716 PolarHBondContact O-N 3.03Å; N713-H716 PolarHBondContact O-N 3.46Å; L714-H716 VanDerWaalsContact C-N 3.33Å; L714-H716 PolarHBondContact O-N 3.35Å; H716-T720 WeakPolarHBondContact O-CB 3.21Å; H716-T720 PolarHBondContact O-N 3.29Å; H716-T720 PolarHBondContact O-OG1 2.98Å |
| 717 | K | 38.1 | Very low | 38.7 | Very low | 105 Ų | 105 | 96.8 Ų | 96.8 | 46% | 0.457 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.7 | -44.2 | 177.8 | -149.1 | -177.3 | -168.3 | -164.8 | 0 | 111.8 | N713 L714 K715 N719 T720 Q721 E868 | N713-K717 WeakPolarHBondContact O-CB 3.39Å; N713-K717 PolarHBondContact O-N 2.97Å; L714-K717 PolarHBondContact O-N 3.47Å; L714-K717 VanDerWaalsContact O-N 3.16Å; K715-K717 VanDerWaalsContact C-N 3.33Å; K715-K717 PolarHBondContact O-N 3.27Å; K717-N719 PolarHBondContact O-N 3Å; K717-T720 PolarHBondContact O-N 2.63Å; K717-Q721 WeakPolarHBondContact O-CG 3.28Å; K717-Q721 PolarHBondContact O-N 3.47Å; K717-E868 VanDerWaalsContact CE-OE1 3.27Å; K717-E868 WeakPolarHBondContact CE-OE1 3.44Å; K717-E868 IonicContact NZ-OE1 2.64Å; K717-E868 PolarHBondContact NZ-OE1 3.44Å |
| 718 | I | 37.1 | Very low | 38.3 | Very low | 75 Ų | 75 | 94 Ų | 94 | 39% | 0.385 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -55.9 | -51.5 | 173.6 | -69.8 | 166.1 | 0 | 0 | 0 | 110.4 | L714 K715 T720 Q721 S722 L865 | L714-I718 HydrophobicContact CG-CD1 4.06Å; L714-I718 WeakPolarHBondContact O-CG1 3.23Å; L714-I718 PolarHBondContact O-N 2.97Å; K715-I718 PolarHBondContact O-N 3.39Å; I718-T720 VanDerWaalsContact C-N 3.31Å; I718-T720 PolarHBondContact O-N 2.97Å; I718-Q721 PolarHBondContact O-N 3.21Å; I718-S722 WeakPolarHBondContact O-CB 3.35Å; I718-S722 PolarHBondContact O-N 3.03Å; I718-L865 HydrophobicContact CG1-CD2 4.34Å |
| 719 | N | 39.2 | Very low | 37.7 | Very low | 86 Ų | 86 | 91 Ų | 91 | 46% | 0.46 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 178.1 | -74.8 | -1.9 | 0 | 0 | 0 | 112.1 | K715 K717 Q721 S722 M723 | K715-N719 PolarHBondContact O-N 3.14Å; K717-N719 PolarHBondContact O-N 3Å; N719-Q721 PolarHBondContact O-N 2.96Å; N719-S722 PolarHBondContact O-N 3.09Å; N719-M723 WeakPolarHBondContact O-CG 3.19Å; N719-M723 PolarHBondContact O-N 3.35Å |
| 720 | T | 42.2 | Very low | 37.4 | Very low | 62 Ų | 62 | 89 Ų | 89 | 38% | 0.38 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 179.6 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | H716 K717 I718 K724 | H716-T720 WeakPolarHBondContact O-CB 3.21Å; H716-T720 PolarHBondContact O-N 3.29Å; H716-T720 PolarHBondContact O-OG1 2.98Å; K717-T720 PolarHBondContact O-N 2.63Å; I718-T720 VanDerWaalsContact C-N 3.31Å; I718-T720 PolarHBondContact O-N 2.97Å; T720-K724 PolarHBondContact O-N 3.48Å |
| 721 | Q | 36.5 | Very low | 37.2 | Very low | 62 Ų | 62 | 93.4 Ų | 93.4 | 29% | 0.29 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -75.7 | -39.4 | 176.6 | -60.9 | -70.6 | 38.7 | 0 | 0 | 111.8 | K717 I718 N719 M723 K724 V725 | K717-Q721 WeakPolarHBondContact O-CG 3.28Å; K717-Q721 PolarHBondContact O-N 3.47Å; I718-Q721 PolarHBondContact O-N 3.21Å; N719-Q721 PolarHBondContact O-N 2.96Å; Q721-M723 VanDerWaalsContact C-N 3.34Å; Q721-M723 PolarHBondContact O-N 3.34Å; Q721-K724 WeakPolarHBondContact O-CB 3.44Å; Q721-K724 PolarHBondContact O-N 2.96Å; Q721-V725 PolarHBondContact O-N 3.25Å |
| 722 | S | 35.6 | Very low | 37.1 | Very low | 69 Ų | 69 | 95 Ų | 95 | 48% | 0.483 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -55.7 | -46.5 | 173.3 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | I718 N719 K724 V725 H726 | I718-S722 WeakPolarHBondContact O-CB 3.35Å; I718-S722 PolarHBondContact O-N 3.03Å; N719-S722 PolarHBondContact O-N 3.09Å; S722-K724 VanDerWaalsContact C-N 3.3Å; S722-K724 PolarHBondContact O-N 3.34Å; S722-V725 PolarHBondContact O-N 3.25Å; S722-H726 PolarHBondContact O-N 3.42Å |
| 723 | M | 36.9 | Very low | 36.6 | Very low | 124 Ų | 124 | 96 Ų | 96 | 61% | 0.611 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62 | -32.4 | 175.2 | -72.8 | -167.8 | -168.1 | 0 | 0 | 113.9 | N719 Q721 K727 | N719-M723 WeakPolarHBondContact O-CG 3.19Å; N719-M723 PolarHBondContact O-N 3.35Å; Q721-M723 VanDerWaalsContact C-N 3.34Å; Q721-M723 PolarHBondContact O-N 3.34Å; M723-K727 WeakPolarHBondContact O-CG 3.34Å; M723-K727 PolarHBondContact O-N 3.4Å |
| 724 | K | 39.4 | Very low | 36.2 | Very low | 122 Ų | 122 | 97.4 Ų | 97.4 | 53% | 0.53 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.1 | -44 | 174.6 | -72.4 | 178.3 | -165 | 162 | 0 | 111.1 | T720 Q721 S722 H726 K727 S728 | T720-K724 PolarHBondContact O-N 3.48Å; Q721-K724 WeakPolarHBondContact O-CB 3.44Å; Q721-K724 PolarHBondContact O-N 2.96Å; S722-K724 VanDerWaalsContact C-N 3.3Å; S722-K724 PolarHBondContact O-N 3.34Å; K724-H726 VanDerWaalsContact C-N 3.35Å; K724-H726 PolarHBondContact O-N 3.17Å; K724-K727 PolarHBondContact O-N 3.09Å; K724-S728 PolarHBondContact O-N 3.3Å; K724-S728 VanDerWaalsContact O-N 3.16Å; K724-S728 PolarHBondContact O-OG 3.3Å; K724-S728 VanDerWaalsContact O-OG 3.13Å |
| 725 | V | 32.9 | Very low | 36 | Very low | 44 Ų | 44 | 101.7 Ų | 101.7 | 27% | 0.267 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.7 | -47.3 | 176.9 | 171.3 | 0 | 0 | 0 | 0 | 111 | Q721 S722 K727 S728 I729 L857 | Q721-V725 PolarHBondContact O-N 3.25Å; S722-V725 PolarHBondContact O-N 3.25Å; V725-K727 VanDerWaalsContact C-N 3.31Å; V725-K727 PolarHBondContact O-N 3.36Å; V725-S728 WeakPolarHBondContact CA-OG 3.27Å; V725-S728 PolarHBondContact O-N 3.42Å; V725-S728 VanDerWaalsContact O-N 3.11Å; V725-S728 PolarHBondContact O-OG 3.47Å; V725-I729 HydrophobicContact CG1-CD1 3.92Å; V725-I729 WeakPolarHBondContact O-CG1 3.42Å; V725-I729 PolarHBondContact O-N 3.18Å; V725-L857 HydrophobicContact CG1-CD2 3.66Å |
| 726 | H | 36.8 | Very low | 35.7 | Very low | 129 Ų | 129 | 100.7 Ų | 100.7 | 60% | 0.597 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.7 | -35.1 | 179.2 | -123.4 | 65.7 | 0 | 0 | 0 | 113 | S722 K724 T730 | S722-H726 PolarHBondContact O-N 3.42Å; K724-H726 VanDerWaalsContact C-N 3.35Å; K724-H726 PolarHBondContact O-N 3.17Å; H726-T730 PolarHBondContact O-N 3.14Å; H726-T730 PolarHBondContact O-OG1 3.25Å |
| 727 | K | 33.8 | Very low | 35 | Very low | 147 Ų | 147 | 99.4 Ų | 99.4 | 64% | 0.639 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -73 | -20.7 | 175.2 | -74.7 | 178.9 | -179.9 | 179.8 | 0 | 114.4 | M723 K724 V725 T730 | M723-K727 WeakPolarHBondContact O-CG 3.34Å; M723-K727 PolarHBondContact O-N 3.4Å; K724-K727 PolarHBondContact O-N 3.09Å; V725-K727 VanDerWaalsContact C-N 3.31Å; V725-K727 PolarHBondContact O-N 3.36Å; K727-T730 WeakPolarHBondContact CA-OG1 3.31Å; K727-T730 PolarHBondContact O-OG1 3.16Å |
| 728 | S | 31.7 | Very low | 34.7 | Very low | 55 Ų | 55 | 101.8 Ų | 101.8 | 39% | 0.385 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -76.8 | -49.1 | 169 | 19.2 | 0 | 0 | 0 | 0 | 111.7 | K724 V725 T730 K731 D732 | K724-S728 PolarHBondContact O-N 3.3Å; K724-S728 VanDerWaalsContact O-N 3.16Å; K724-S728 PolarHBondContact O-OG 3.3Å; K724-S728 VanDerWaalsContact O-OG 3.13Å; V725-S728 WeakPolarHBondContact CA-OG 3.27Å; V725-S728 PolarHBondContact O-N 3.42Å; V725-S728 VanDerWaalsContact O-N 3.11Å; V725-S728 PolarHBondContact O-OG 3.47Å; S728-T730 VanDerWaalsContact C-N 3.3Å; S728-T730 PolarHBondContact O-N 3.04Å; S728-K731 PolarHBondContact O-N 2.88Å; S728-K731 VanDerWaalsContact O-N 3.09Å; S728-D732 PolarHBondContact O-N 3.19Å |
| 729 | I | 30.9 | Very low | 34.5 | Very low | 54 Ų | 54 | 103.5 Ų | 103.5 | 28% | 0.277 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -56.7 | -45 | -177.6 | -65.2 | 165.8 | 0 | 0 | 0 | 111.2 | V725 K731 D732 Q733 | V725-I729 HydrophobicContact CG1-CD1 3.92Å; V725-I729 WeakPolarHBondContact O-CG1 3.42Å; V725-I729 PolarHBondContact O-N 3.18Å; I729-K731 VanDerWaalsContact C-N 3.31Å; I729-K731 PolarHBondContact O-N 3.05Å; I729-D732 PolarHBondContact O-N 3.45Å; I729-Q733 HydrophobicContact CG2-CG 4.44Å; I729-Q733 WeakPolarHBondContact O-CG 3.43Å; I729-Q733 PolarHBondContact O-N 3.4Å; I729-Q733 VanDerWaalsContact O-N 3.09Å |
| 730 | T | 33.9 | Very low | 34.2 | Very low | 59 Ų | 59 | 102.6 Ų | 102.6 | 36% | 0.362 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -29.9 | 179.8 | 41.6 | 0 | 0 | 0 | 0 | 114 | H726 K727 S728 Q734 | H726-T730 PolarHBondContact O-N 3.14Å; H726-T730 PolarHBondContact O-OG1 3.25Å; K727-T730 WeakPolarHBondContact CA-OG1 3.31Å; K727-T730 PolarHBondContact O-OG1 3.16Å; S728-T730 VanDerWaalsContact C-N 3.3Å; S728-T730 PolarHBondContact O-N 3.04Å; T730-Q734 WeakPolarHBondContact O-CB 3.36Å; T730-Q734 VanDerWaalsContact O-CG 3.25Å; T730-Q734 WeakPolarHBondContact O-CG 3.2Å; T730-Q734 PolarHBondContact O-N 3.2Å; T730-Q734 VanDerWaalsContact O-N 3.12Å |
| 731 | K | 34 | Very low | 33.5 | Very low | 151 Ų | 151 | 105.2 Ų | 105.2 | 66% | 0.657 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -73.7 | -38.6 | 177 | -79.6 | -175.2 | 174.1 | -175.4 | 0 | 113 | S728 I729 K735 | S728-K731 PolarHBondContact O-N 2.88Å; S728-K731 VanDerWaalsContact O-N 3.09Å; I729-K731 VanDerWaalsContact C-N 3.31Å; I729-K731 PolarHBondContact O-N 3.05Å; K731-K735 PolarHBondContact O-N 3.42Å |
| 732 | D | 32.4 | Very low | 33.3 | Very low | 114 Ų | 114 | 108.3 Ų | 108.3 | 61% | 0.61 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -73.4 | -40.5 | 179.2 | -68.2 | -30.4 | 0 | 0 | 0 | 110.8 | S728 I729 Q734 K735 E736 | S728-D732 PolarHBondContact O-N 3.19Å; I729-D732 PolarHBondContact O-N 3.45Å; D732-Q734 PolarHBondContact O-N 3.47Å; D732-K735 WeakPolarHBondContact O-CB 3.45Å; D732-K735 PolarHBondContact O-N 3.41Å; D732-K735 VanDerWaalsContact O-N 3.08Å; D732-E736 PolarHBondContact O-N 2.79Å; D732-E736 VanDerWaalsContact O-N 3.13Å |
| 733 | Q | 31.2 | Very low | 33 | Very low | 109 Ų | 109 | 113.6 Ų | 113.6 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.1 | -40.7 | 172.9 | -73.9 | -179.2 | -21.1 | 0 | 0 | 113.2 | I729 K735 E736 N737 | I729-Q733 HydrophobicContact CG2-CG 4.44Å; I729-Q733 WeakPolarHBondContact O-CG 3.43Å; I729-Q733 PolarHBondContact O-N 3.4Å; I729-Q733 VanDerWaalsContact O-N 3.09Å; Q733-K735 PolarHBondContact O-N 3.22Å; Q733-E736 PolarHBondContact O-N 3.32Å; Q733-N737 PolarHBondContact O-N 2.94Å; Q733-N737 VanDerWaalsContact O-N 3.07Å |
| 734 | Q | 32.3 | Very low | 32.6 | Very low | 142 Ų | 142 | 115.4 Ų | 115.4 | 66% | 0.664 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62 | -28.3 | 174.8 | -80.9 | 178.2 | -1.7 | 0 | 0 | 112.8 | T730 D732 F738 | T730-Q734 WeakPolarHBondContact O-CB 3.36Å; T730-Q734 VanDerWaalsContact O-CG 3.25Å; T730-Q734 WeakPolarHBondContact O-CG 3.2Å; T730-Q734 PolarHBondContact O-N 3.2Å; T730-Q734 VanDerWaalsContact O-N 3.12Å; D732-Q734 PolarHBondContact O-N 3.47Å; Q734-F738 PolarHBondContact O-N 3.39Å |
| 735 | K | 34.5 | Very low | 31.8 | Very low | 154 Ų | 154 | 118.4 Ų | 118.4 | 67% | 0.67 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -79.3 | -41.9 | 179.5 | -151.1 | 174.5 | -175.9 | -177 | 0 | 112.2 | K731 D732 Q733 F738 D739 | K731-K735 PolarHBondContact O-N 3.42Å; D732-K735 WeakPolarHBondContact O-CB 3.45Å; D732-K735 PolarHBondContact O-N 3.41Å; D732-K735 VanDerWaalsContact O-N 3.08Å; Q733-K735 PolarHBondContact O-N 3.22Å; K735-F738 PolarHBondContact O-N 2.83Å; K735-D739 PolarHBondContact O-N 3.28Å |
| 736 | E | 35 | Very low | 31.4 | Very low | 122 Ų | 122 | 121.8 Ų | 121.8 | 57% | 0.57 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.3 | -38.3 | 174 | -76.5 | -162.7 | 120.2 | 0 | 0 | 112.9 | D732 Q733 F738 D739 N740 | D732-E736 PolarHBondContact O-N 2.79Å; D732-E736 VanDerWaalsContact O-N 3.13Å; Q733-E736 PolarHBondContact O-N 3.32Å; E736-F738 VanDerWaalsContact C-N 3.26Å; E736-F738 PolarHBondContact O-N 3.29Å; E736-D739 PolarHBondContact O-N 3.28Å; E736-N740 PolarHBondContact O-N 2.99Å; E736-N740 VanDerWaalsContact O-N 3.09Å; E736-N740 PolarHBondContact O-ND2 2.97Å |
| 737 | N | 31.1 | Very low | 30.8 | Very low | 102 Ų | 102 | 119 Ų | 119 | 55% | 0.545 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.9 | -30.3 | 177 | -80.6 | -9.7 | 0 | 0 | 0 | 112.8 | Q733 N741 | Q733-N737 PolarHBondContact O-N 2.94Å; Q733-N737 VanDerWaalsContact O-N 3.07Å; N737-N741 PolarHBondContact O-N 3.03Å |
| 738 | F | 32 | Very low | 30.3 | Very low | 155 Ų | 155 | 117.5 Ų | 117.5 | 68% | 0.68 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.9 | -39.6 | 176.6 | -144.1 | -86.5 | 0 | 0 | 0 | 112.4 | Q734 K735 E736 | Q734-F738 PolarHBondContact O-N 3.39Å; K735-F738 PolarHBondContact O-N 2.83Å; E736-F738 VanDerWaalsContact C-N 3.26Å; E736-F738 PolarHBondContact O-N 3.29Å |
| 739 | D | 31.5 | Very low | 30 | Very low | 111 Ų | 111 | 120 Ų | 120 | 59% | 0.594 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -74.2 | -30 | 178.5 | -81.5 | -22 | 0 | 0 | 0 | 113.2 | K735 E736 | K735-D739 PolarHBondContact O-N 3.28Å; E736-D739 PolarHBondContact O-N 3.28Å |
| 740 | N | 32.8 | Very low | 29.7 | Very low | 68 Ų | 68 | 124 Ų | 124 | 36% | 0.364 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -73.2 | -39.3 | 177.5 | -73.9 | -37.4 | 0 | 0 | 0 | 112.5 | E736 I742 K743 | E736-N740 PolarHBondContact O-N 2.99Å; E736-N740 VanDerWaalsContact O-N 3.09Å; E736-N740 PolarHBondContact O-ND2 2.97Å; N740-I742 PolarHBondContact O-N 3.36Å; N740-K743 PolarHBondContact O-N 3.2Å; N740-K743 VanDerWaalsContact O-N 3.07Å |
| 741 | N | 29.1 | Very low | 29.1 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 63% | 0.626 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -64.1 | -23.3 | -178.3 | -79 | -6.8 | 0 | 0 | 0 | 114 | N737 K743 | N737-N741 PolarHBondContact O-N 3.03Å; N741-K743 VanDerWaalsContact C-N 3.29Å; N741-K743 PolarHBondContact O-N 3.13Å |
| 742 | I | 30.9 | Very low | 28.6 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 65% | 0.651 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -16.1 | 177.2 | -64.7 | 175.2 | 0 | 0 | 0 | 112.2 | N740 | N740-I742 PolarHBondContact O-N 3.36Š|
| 743 | K | 30.5 | Very low | 28.2 | Very low | 179 Ų | 179 | 130.4 Ų | 130.4 | 78% | 0.778 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -103.8 | -6.1 | -173.5 | -76.3 | -179.7 | 178.1 | 169.6 | 0 | 116.2 | N740 N741 | N740-K743 PolarHBondContact O-N 3.2Å; N740-K743 VanDerWaalsContact O-N 3.07Å; N741-K743 VanDerWaalsContact C-N 3.29Å; N741-K743 PolarHBondContact O-N 3.13Å |
| 744 | Q | 27.6 | Very low | 27.8 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 76% | 0.757 | 70% | 0.703 | S | S | * | * | trans | -96.1 | -1.6 | -175.3 | -68.8 | -169 | -9.5 | 0 | 0 | 115.4 | S746 | Q744-S746 VanDerWaalsContact C-N 3.3Å; Q744-S746 PolarHBondContact O-N 2.87Å | ||
| 745 | Q | 22.9 | Very low | 27.3 | Very low | 185 Ų | 185 | 135.3 Ų | 135.3 | 86% | 0.864 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -82.4 | 64.1 | 172.4 | -67.7 | -171.3 | -3.3 | 0 | 0 | 112.9 | ||
| 746 | S | 23.9 | Very low | 26.8 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -179.6 | 127.3 | 153.7 | 38 | 0 | 0 | 0 | 0 | 113.7 | Q744 | Q744-S746 VanDerWaalsContact C-N 3.3Å; Q744-S746 PolarHBondContact O-N 2.87Å |
| 747 | G | 24.9 | Very low | 26.2 | Very low | 71 Ų | 71 | 137.6 Ų | 137.6 | 73% | 0.732 | 74% | 0.735 | S | S | * | * | trans | 125.8 | 72.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 748 | E | 23.7 | Very low | 25.7 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 54% | 0.537 | 75% | 0.749 | S | S | . | * | trans | -76.5 | 133.3 | 165.9 | -60.8 | 176 | 119.1 | 0 | 0 | 111.6 | S269 Q271 | S269-E748 VanDerWaalsContact CB-OE1 3.26Å; S269-E748 WeakPolarHBondContact CB-OE1 3.33Å; S269-E748 PolarHBondContact OG-OE1 3.41Å; Q271-E748 HydrophobicContact CG-CG 4.4Å | ||
| 749 | S | 25 | Very low | 25.2 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | trans | 179.9 | 111.4 | 132.6 | 26.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 750 | V | 23.8 | Very low | 24.8 | Very low | 138 Ų | 138 | 138.9 Ų | 138.9 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | 47.1 | 116.6 | 128.2 | -173.7 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 751 | E | 22.2 | Very low | 24.2 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -78.9 | 151 | 173.4 | -60.5 | 170.3 | 138 | 0 | 0 | 113.2 | ||||
| 752 | V | 22.4 | Very low | 24.1 | Very low | 139 Ų | 139 | 143 Ų | 143 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | trans | -134.2 | 127.6 | 161.3 | 178 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 753 | N | 24.5 | Very low | 23.6 | Very low | 148 Ų | 148 | 146.4 Ų | 146.4 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -68.2 | 144.4 | 174.6 | -64.3 | -41.2 | 0 | 0 | 0 | 111.1 | ||||
| 754 | E | 23.3 | Very low | 23.4 | Very low | 193 Ų | 193 | 143.8 Ų | 143.8 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | -169.9 | 141.2 | 125.6 | -108.9 | 170.7 | -155.7 | 0 | 0 | 112.3 | |||||
| 755 | D | 20.7 | Very low | 23.4 | Very low | 162 Ų | 162 | 143 Ų | 143 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | trans | -73.6 | 132 | -179.8 | -74.3 | -73.6 | 0 | 0 | 0 | 112.6 | ||||
| 756 | S | 24.2 | Very low | 23.4 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -156.8 | 96.6 | 161.3 | -80.5 | 0 | 0 | 0 | 0 | 111.8 | L758 | S756-L758 PolarHBondContact O-N 2.91Š| ||
| 757 | K | 22.9 | Very low | 23.4 | Very low | 211 Ų | 211 | 142.8 Ų | 142.8 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | -68.9 | 111.5 | 170.1 | -78.1 | 177 | 175.7 | 172.2 | 0 | 110.4 | ||||
| 758 | L | 20.8 | Very low | 23.5 | Very low | 160 Ų | 160 | 146.8 Ų | 146.8 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | -108.5 | 108.7 | 163.2 | -89.6 | 164.5 | 0 | 0 | 0 | 110 | S756 V760 | S756-L758 PolarHBondContact O-N 2.91Å; L758-V760 PolarHBondContact O-N 3.41Å | ||
| 759 | V | 20.9 | Very low | 23.5 | Very low | 120 Ų | 120 | 150 Ų | 150 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -77.4 | 116.2 | 173.3 | 177 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 760 | V | 23.2 | Very low | 23.5 | Very low | 115 Ų | 115 | 150 Ų | 150 | 70% | 0.697 | 81% | 0.806 | S | S | * | * | trans | -108.5 | 96 | 171.8 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | L758 | L758-V760 PolarHBondContact O-N 3.41Š| ||
| 761 | N | 21.7 | Very low | 23.5 | Very low | 137 Ų | 137 | 152.6 Ų | 152.6 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | trans | -69.4 | 126.1 | 164.9 | -66.6 | -14.3 | 0 | 0 | 0 | 108.5 | ||||
| 762 | N | 25.4 | Very low | 23.6 | Very low | 135 Ų | 135 | 148.3 Ų | 148.3 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | -147.7 | 96 | 161.3 | -89.2 | -43.2 | 0 | 0 | 0 | 108.8 | V764 | N762-V764 HydrophobicContact CB-CG2 4.42Å; N762-V764 PolarHBondContact O-N 3.03Å | ||
| 763 | E | 21.7 | Very low | 23.7 | Very low | 198 Ų | 198 | 149 Ų | 149 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -65.4 | 116.5 | 163.9 | -62.8 | 172.6 | 153.6 | 0 | 0 | 108.1 | ||||
| 764 | V | 25.8 | Very low | 23.8 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 75% | 0.745 | 80% | 0.8 | S | S | * | * | trans | -122.5 | 76.6 | 174.4 | -173.5 | 0 | 0 | 0 | 0 | 109.7 | N762 D766 | N762-V764 HydrophobicContact CB-CG2 4.42Å; N762-V764 PolarHBondContact O-N 3.03Å; V764-D766 PolarHBondContact O-N 2.99Å | ||
| 765 | N | 26.5 | Very low | 23.9 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | 9.4 | 96.5 | 150.1 | -157.4 | 16.3 | 0 | 0 | 0 | 116.4 | N767 | N765-N767 PolarHBondContact O-N 3.26Å; N765-N767 VanDerWaalsContact O-N 3.15Å | ||
| 766 | D | 23.2 | Very low | 24.2 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -61.7 | 109.1 | 166.9 | -72.6 | -57.7 | 0 | 0 | 0 | 110.5 | V764 | V764-D766 PolarHBondContact O-N 2.99Š| ||
| 767 | N | 24.8 | Very low | 24.4 | Very low | 145 Ų | 145 | 139 Ų | 139 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | -177.2 | 81.5 | 154.6 | -95.9 | -48.1 | 0 | 0 | 0 | 110.7 | N765 | N765-N767 PolarHBondContact O-N 3.26Å; N765-N767 VanDerWaalsContact O-N 3.15Å | ||
| 768 | N | 26.9 | Very low | 24.7 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | trans | -166 | 68.1 | 154.6 | -96 | -38.6 | 0 | 0 | 0 | 110 | V770 | N768-V770 VanDerWaalsContact C-N 3.32Å; N768-V770 PolarHBondContact O-N 2.86Å | ||
| 769 | L | 22.6 | Very low | 25 | Very low | 181 Ų | 181 | 135 Ų | 135 | 95% | 0.948 | 75% | 0.746 | S | S | * | * | trans | -67.8 | 91.3 | 164.9 | -81.6 | 161.5 | 0 | 0 | 0 | 108.9 | ||||
| 770 | V | 25.7 | Very low | 25.5 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 67% | 0.667 | 74% | 0.743 | S | S | * | * | trans | -102 | 101.4 | 166.3 | 179.5 | 0 | 0 | 0 | 0 | 108.1 | N768 S772 | N768-V770 VanDerWaalsContact C-N 3.32Å; N768-V770 PolarHBondContact O-N 2.86Å; V770-S772 PolarHBondContact O-N 2.85Å | ||
| 771 | E | 24.2 | Very low | 25.8 | Very low | 192 Ų | 192 | 136.9 Ų | 136.9 | 90% | 0.897 | 74% | 0.736 | S | S | * | * | trans | -58 | 116.6 | 165.9 | -61.7 | 178.5 | 145.6 | 0 | 0 | 109.3 | ||||
| 772 | S | 23.7 | Very low | 26.2 | Very low | 81 Ų | 81 | 134.7 Ų | 134.7 | 57% | 0.566 | 73% | 0.727 | S | S | * | * | trans | -148.4 | 101.9 | 163.9 | 67.5 | 0 | 0 | 0 | 0 | 111 | V770 | V770-S772 PolarHBondContact O-N 2.85Š| ||
| 773 | N | 24.3 | Very low | 26.4 | Very low | 152 Ų | 152 | 131 Ų | 131 | 81% | 0.813 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51 | 145.7 | 165.9 | -73.3 | -54.6 | 0 | 0 | 0 | 111.7 | V775 | N773-V775 PolarHBondContact O-N 2.84Š|
| 774 | S | 26.4 | Very low | 26.8 | Very low | 121 Ų | 121 | 124.7 Ų | 124.7 | 85% | 0.846 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 54.5 | 41.2 | 154.2 | 66.4 | 0 | 0 | 0 | 0 | 119.4 | ||
| 775 | V | 26.5 | Very low | 27.1 | Very low | 88 Ų | 88 | 123.8 Ų | 123.8 | 53% | 0.533 | 68% | 0.68 | S | S | . | * | trans | -139.1 | 56.8 | 159.4 | -162.3 | 0 | 0 | 0 | 0 | 111.9 | N773 | N773-V775 PolarHBondContact O-N 2.84Š| ||
| 776 | A | 27 | Very low | 27.4 | Very low | 83 Ų | 83 | 120.7 Ų | 120.7 | 69% | 0.686 | 67% | 0.667 | S | S | * | * | trans | -98.6 | -24.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 777 | T | 27.9 | Very low | 27.9 | Very low | 114 Ų | 114 | 119 Ų | 119 | 70% | 0.699 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -74 | -35.1 | -176.8 | 44.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 778 | D | 28.6 | Very low | 28.2 | Very low | 109 Ų | 109 | 116.9 Ų | 116.9 | 58% | 0.583 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -81.6 | -24.5 | -176.2 | -68.1 | -15 | 0 | 0 | 0 | 113.4 | Y780 V782 | D778-Y780 VanDerWaalsContact C-N 3.32Å; D778-Y780 PolarHBondContact O-N 3.13Å; D778-V782 PolarHBondContact O-N 3.48Å |
| 779 | R | 29 | Very low | 28.5 | Very low | 180 Ų | 180 | 113.3 Ų | 113.3 | 68% | 0.679 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.6 | -27.9 | 176.5 | -76.5 | -168.9 | -178.1 | 174.1 | 5.5 | 113 | N781 V782 A783 | R779-N781 VanDerWaalsContact C-N 3.3Å; R779-N781 PolarHBondContact O-N 2.86Å; R779-V782 PolarHBondContact O-N 3.19Å; R779-A783 WeakPolarHBondContact O-CB 3.37Å; R779-A783 PolarHBondContact O-N 3.07Å |
| 780 | Y | 29.6 | Very low | 28.9 | Very low | 171 Ų | 171 | 107.1 Ų | 107.1 | 67% | 0.671 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.2 | -33.7 | 180 | -146.4 | -90.6 | 0 | 0 | 0 | 112.3 | D778 T784 | D778-Y780 VanDerWaalsContact C-N 3.32Å; D778-Y780 PolarHBondContact O-N 3.13Å; Y780-T784 PolarHBondContact O-N 3.01Å; Y780-T784 PolarHBondContact O-OG1 2.93Å |
| 781 | N | 30.2 | Very low | 29.3 | Very low | 102 Ų | 102 | 107.5 Ų | 107.5 | 55% | 0.545 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -80.1 | -34.7 | 177.2 | -69.9 | -18.4 | 0 | 0 | 0 | 112.8 | R779 T784 I785 | R779-N781 VanDerWaalsContact C-N 3.3Å; R779-N781 PolarHBondContact O-N 2.86Å; N781-T784 PolarHBondContact O-OG1 3.17Å; N781-I785 WeakPolarHBondContact O-CD1 3.33Å; N781-I785 VanDerWaalsContact O-CG1 3.27Å; N781-I785 WeakPolarHBondContact O-CG1 3.48Å; N781-I785 PolarHBondContact O-N 2.64Å |
| 782 | V | 31.3 | Very low | 29.8 | Very low | 92 Ų | 92 | 104 Ų | 104 | 56% | 0.558 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -75 | -36 | 176.3 | -179 | 0 | 0 | 0 | 0 | 111.6 | D778 R779 T786 | D778-V782 PolarHBondContact O-N 3.48Å; R779-V782 PolarHBondContact O-N 3.19Å; V782-T786 HydrophobicContact CG1-CG2 4.38Å; V782-T786 WeakPolarHBondContact O-CB 3.31Å; V782-T786 PolarHBondContact O-N 3.41Å; V782-T786 PolarHBondContact O-OG1 3.07Å |
| 783 | A | 29.5 | Very low | 30.1 | Very low | 56 Ų | 56 | 104.7 Ų | 104.7 | 46% | 0.463 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.1 | -41.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R779 T786 L787 | R779-A783 WeakPolarHBondContact O-CB 3.37Å; R779-A783 PolarHBondContact O-N 3.07Å; A783-T786 WeakPolarHBondContact CA-OG1 3.31Å; A783-T786 PolarHBondContact O-N 2.85Å; A783-T786 PolarHBondContact O-OG1 2.95Å; A783-L787 WeakPolarHBondContact O-CB 3.45Å; A783-L787 PolarHBondContact O-N 2.82Å |
| 784 | T | 30 | Very low | 30.5 | Very low | 66 Ų | 66 | 105.8 Ų | 105.8 | 41% | 0.405 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.7 | -47.9 | 174.6 | 37.2 | 0 | 0 | 0 | 0 | 111.7 | Y780 N781 T786 L787 D788 | Y780-T784 PolarHBondContact O-N 3.01Å; Y780-T784 PolarHBondContact O-OG1 2.93Å; N781-T784 PolarHBondContact O-OG1 3.17Å; T784-T786 VanDerWaalsContact C-N 3.3Å; T784-T786 PolarHBondContact O-N 3.4Å; T784-L787 PolarHBondContact O-N 2.79Å; T784-D788 PolarHBondContact O-N 2.85Å |
| 785 | I | 32.1 | Very low | 30.5 | Very low | 104 Ų | 104 | 105.1 Ų | 105.1 | 53% | 0.533 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.4 | -34.3 | 177.6 | -65.6 | 170.5 | 0 | 0 | 0 | 112.1 | N781 N789 | N781-I785 WeakPolarHBondContact O-CD1 3.33Å; N781-I785 VanDerWaalsContact O-CG1 3.27Å; N781-I785 WeakPolarHBondContact O-CG1 3.48Å; N781-I785 PolarHBondContact O-N 2.64Å; I785-N789 WeakPolarHBondContact O-CB 3.27Å; I785-N789 PolarHBondContact O-N 2.98Å; I785-N789 PolarHBondContact O-ND2 3.3Å |
| 786 | T | 31.5 | Very low | 30.5 | Very low | 81 Ų | 81 | 104.9 Ų | 104.9 | 50% | 0.497 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -77.9 | -30.9 | 176.1 | 45.8 | 0 | 0 | 0 | 0 | 113.3 | V782 A783 T784 A790 | V782-T786 HydrophobicContact CG1-CG2 4.38Å; V782-T786 WeakPolarHBondContact O-CB 3.31Å; V782-T786 PolarHBondContact O-N 3.41Å; V782-T786 PolarHBondContact O-OG1 3.07Å; A783-T786 WeakPolarHBondContact CA-OG1 3.31Å; A783-T786 PolarHBondContact O-N 2.85Å; A783-T786 PolarHBondContact O-OG1 2.95Å; T784-T786 VanDerWaalsContact C-N 3.3Å; T784-T786 PolarHBondContact O-N 3.4Å; T786-A790 WeakPolarHBondContact O-CB 3.48Å; T786-A790 PolarHBondContact O-N 2.76Å |
| 787 | L | 33.3 | Very low | 30.5 | Very low | 115 Ų | 115 | 108.4 Ų | 108.4 | 60% | 0.602 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.7 | -43.9 | 175.1 | -155.5 | 75.7 | 0 | 0 | 0 | 111.6 | A783 T784 A790 L791 | A783-L787 WeakPolarHBondContact O-CB 3.45Å; A783-L787 PolarHBondContact O-N 2.82Å; T784-L787 PolarHBondContact O-N 2.79Å; L787-A790 PolarHBondContact O-N 2.88Å; L787-L791 HydrophobicContact CG-CD1 4.49Å; L787-L791 WeakPolarHBondContact O-CG 3.43Å; L787-L791 PolarHBondContact O-N 2.96Å |
| 788 | D | 31.3 | Very low | 30.5 | Very low | 101 Ų | 101 | 110.4 Ų | 110.4 | 54% | 0.54 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.5 | -46 | 175.1 | -76 | -20.8 | 0 | 0 | 0 | 111.3 | T784 A790 L791 I792 | T784-D788 PolarHBondContact O-N 2.85Å; D788-A790 PolarHBondContact O-N 3.06Å; D788-L791 PolarHBondContact O-N 3.23Å; D788-I792 VanDerWaalsContact O-CG1 3.29Å; D788-I792 WeakPolarHBondContact O-CG1 3.31Å; D788-I792 PolarHBondContact O-N 3.31Å |
| 789 | N | 33.6 | Very low | 30.5 | Very low | 81 Ų | 81 | 110.3 Ų | 110.3 | 43% | 0.433 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.1 | -27.9 | 177.4 | -77.9 | -62.8 | 0 | 0 | 0 | 113.6 | I785 N793 | I785-N789 WeakPolarHBondContact O-CB 3.27Å; I785-N789 PolarHBondContact O-N 2.98Å; I785-N789 PolarHBondContact O-ND2 3.3Å; N789-N793 VanDerWaalsContact O-CB 3.29Å; N789-N793 WeakPolarHBondContact O-CB 3.46Å; N789-N793 PolarHBondContact O-N 3.24Å; N789-N793 PolarHBondContact O-ND2 3.03Å |
| 790 | A | 32.3 | Very low | 30.4 | Very low | 50 Ų | 50 | 108.6 Ų | 108.6 | 41% | 0.413 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -73.6 | -36.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T786 L787 D788 K794 | T786-A790 WeakPolarHBondContact O-CB 3.48Å; T786-A790 PolarHBondContact O-N 2.76Å; L787-A790 PolarHBondContact O-N 2.88Å; D788-A790 PolarHBondContact O-N 3.06Å; A790-K794 WeakPolarHBondContact O-CB 3.19Å; A790-K794 PolarHBondContact O-N 3.49Å; A790-K794 VanDerWaalsContact O-N 3.1Å |
| 791 | L | 33.3 | Very low | 30.3 | Very low | 119 Ų | 119 | 106.6 Ų | 106.6 | 62% | 0.623 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.1 | -36.7 | 173.5 | -75.4 | 167.5 | 0 | 0 | 0 | 111.9 | L787 D788 | L787-L791 HydrophobicContact CG-CD1 4.49Å; L787-L791 WeakPolarHBondContact O-CG 3.43Å; L787-L791 PolarHBondContact O-N 2.96Å; D788-L791 PolarHBondContact O-N 3.23Å |
| 792 | I | 34.2 | Very low | 30.1 | Very low | 117 Ų | 117 | 109.4 Ų | 109.4 | 60% | 0.6 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70 | -43.6 | 174.6 | -67.7 | 166.6 | 0 | 0 | 0 | 111.3 | D788 | D788-I792 VanDerWaalsContact O-CG1 3.29Å; D788-I792 WeakPolarHBondContact O-CG1 3.31Å; D788-I792 PolarHBondContact O-N 3.31Å |
| 793 | N | 30 | Very low | 29.9 | Very low | 97 Ų | 97 | 110.3 Ų | 110.3 | 52% | 0.519 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -80.4 | -17 | -176.3 | -74.8 | -52 | 0 | 0 | 0 | 115.4 | N789 C795 S796 | N789-N793 VanDerWaalsContact O-CB 3.29Å; N789-N793 WeakPolarHBondContact O-CB 3.46Å; N789-N793 PolarHBondContact O-N 3.24Å; N789-N793 PolarHBondContact O-ND2 3.03Å; N793-C795 VanDerWaalsContact C-N 3.25Å; N793-C795 PolarHBondContact O-N 3.44Å; N793-S796 PolarHBondContact O-OG 3.23Å |
| 794 | K | 32.2 | Very low | 29.7 | Very low | 175 Ų | 175 | 116.2 Ų | 116.2 | 76% | 0.761 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -8.7 | 172.7 | -88.7 | -177.3 | 171.6 | 178.8 | 0 | 114.3 | A790 | A790-K794 WeakPolarHBondContact O-CB 3.19Å; A790-K794 PolarHBondContact O-N 3.49Å; A790-K794 VanDerWaalsContact O-N 3.1Å |
| 795 | C | 27.2 | Very low | 29.5 | Very low | 106 Ų | 106 | 120.7 Ų | 120.7 | 72% | 0.716 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -1.5 | 174 | -70.3 | 0 | 0 | 0 | 0 | 114.1 | N793 | N793-C795 VanDerWaalsContact C-N 3.25Å; N793-C795 PolarHBondContact O-N 3.44Å |
| 796 | S | 26.8 | Very low | 29.1 | Very low | 83 Ų | 83 | 120.5 Ų | 120.5 | 58% | 0.58 | 68% | 0.676 | S | S | * | * | trans | -100.3 | 35.2 | -179.8 | 56.9 | 0 | 0 | 0 | 0 | 114.3 | N793 | N793-S796 PolarHBondContact O-OG 3.23Š| ||
| 797 | H | 25.7 | Very low | 28.8 | Very low | 157 Ų | 157 | 121.4 Ų | 121.4 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | trans | -111.1 | 70.7 | 169.6 | -75.3 | -47.7 | 0 | 0 | 0 | 112.6 | ||||
| 798 | N | 28.9 | Very low | 28.5 | Very low | 156 Ų | 156 | 122.1 Ų | 122.1 | 83% | 0.834 | 70% | 0.695 | S | S | * | * | S | Bend | 173.7 | 150.1 | 124.2 | -92 | -37.9 | 0 | 0 | 0 | 113.7 | |||
| 799 | S | 28 | Very low | 28.3 | Very low | 108 Ų | 108 | 122.6 Ų | 122.6 | 76% | 0.755 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 66.6 | 107.8 | 168 | 62 | 0 | 0 | 0 | 0 | 119.4 | ||
| 800 | N | 27.6 | Very low | 28 | Very low | 143 Ų | 143 | 124.4 Ų | 124.4 | 77% | 0.765 | 73% | 0.725 | S | S | * | * | trans | 62.5 | 117.7 | 154.6 | -64.2 | -11.4 | 0 | 0 | 0 | 119.6 | I802 | N800-I802 PolarHBondContact O-N 3.12Å; N800-I802 VanDerWaalsContact O-N 3.07Å | ||
| 801 | P | 27 | Very low | 27.9 | Very low | 129 Ų | 129 | 128.4 Ų | 128.4 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | trans | -73.2 | 103.3 | 173.1 | 31.1 | -32.5 | 0 | 0 | 0 | 109.9 | T803 | P801-T803 PolarHBondContact O-N 3.46Š| ||
| 802 | I | 27.3 | Very low | 27.6 | Very low | 161 Ų | 161 | 128.5 Ų | 128.5 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | trans | -69.7 | 105.7 | 174.5 | -61.7 | 177 | 0 | 0 | 0 | 108.2 | N800 L804 | N800-I802 PolarHBondContact O-N 3.12Å; N800-I802 VanDerWaalsContact O-N 3.07Å; I802-L804 PolarHBondContact O-N 2.95Å | ||
| 803 | T | 26.9 | Very low | 27.2 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | trans | -49.6 | 132.2 | 171.8 | 33.7 | 0 | 0 | 0 | 0 | 111.4 | P801 L805 | P801-T803 PolarHBondContact O-N 3.46Å; T803-L805 PolarHBondContact O-N 3.28Å | ||
| 804 | L | 24.9 | Very low | 27.1 | Very low | 181 Ų | 181 | 130.4 Ų | 130.4 | 95% | 0.948 | 77% | 0.771 | S | S | * | * | trans | -57.4 | 97.8 | 173.9 | -72.9 | 110.8 | 0 | 0 | 0 | 110.9 | I802 | I802-L804 PolarHBondContact O-N 2.95Š| ||
| 805 | L | 26.7 | Very low | 27.1 | Very low | 160 Ų | 160 | 127.5 Ų | 127.5 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -94.4 | 107 | 167.9 | -86.1 | 165.9 | 0 | 0 | 0 | 109.6 | T803 | T803-L805 PolarHBondContact O-N 3.28Š| ||
| 806 | S | 23.3 | Very low | 27.7 | Very low | 100 Ų | 100 | 130 Ų | 130 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | -58.1 | 161.4 | 166.6 | 51.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 807 | S | 25.1 | Very low | 28.5 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | 85 | 104.1 | 162 | 72.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 808 | T | 27.3 | Very low | 29.7 | Very low | 129 Ų | 129 | 128.8 Ų | 128.8 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | 52.3 | 103.7 | 130.8 | 60.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 809 | S | 26.4 | Very low | 30.7 | Very low | 111 Ų | 111 | 126.9 Ų | 126.9 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | -177.9 | 153.6 | 104 | 40.6 | 0 | 0 | 0 | 0 | 111.8 | V811 | S809-V811 PolarHBondContact O-N 2.74Š| |||
| 810 | S | 27.4 | Very low | 31.6 | Very low | 120 Ų | 120 | 123.5 Ų | 123.5 | 84% | 0.839 | 74% | 0.735 | S | S | * | * | trans | -37.3 | 115.3 | 178.2 | 49.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 811 | V | 29.5 | Very low | 32.9 | Very low | 133 Ų | 133 | 123 Ų | 123 | 81% | 0.806 | 74% | 0.74 | S | S | * | * | trans | -123 | 120.8 | 155.6 | -179.4 | 0 | 0 | 0 | 0 | 108 | S809 | S809-V811 PolarHBondContact O-N 2.74Š| ||
| 812 | T | 26.5 | Very low | 34.1 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | trans | -65.5 | 131 | -179.9 | 42.4 | 0 | 0 | 0 | 0 | 111.2 | T814 | T812-T814 PolarHBondContact O-N 3.49Å; T812-T814 VanDerWaalsContact O-N 3.1Å | ||
| 813 | T | 25.9 | Very low | 35.9 | Very low | 137 Ų | 137 | 119 Ų | 119 | 84% | 0.84 | 72% | 0.723 | S | S | * | * | trans | -69.9 | 100.6 | -178.2 | 49.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 814 | T | 28.3 | Very low | 37.2 | Very low | 118 Ų | 118 | 116 Ų | 116 | 72% | 0.724 | 71% | 0.714 | S | S | * | * | trans | -115.8 | 127.5 | 163.9 | 45.4 | 0 | 0 | 0 | 0 | 110.3 | T812 | T812-T814 PolarHBondContact O-N 3.49Å; T812-T814 VanDerWaalsContact O-N 3.1Å | ||
| 815 | S | 33.2 | Very low | 38.6 | Very low | 114 Ų | 114 | 112.9 Ų | 112.9 | 80% | 0.797 | 70% | 0.699 | S | S | * | * | trans | 51.3 | 80.1 | 169.7 | 59.5 | 0 | 0 | 0 | 0 | 117.1 | S817 | S815-S817 PolarHBondContact O-N 2.93Š| ||
| 816 | L | 38.3 | Very low | 40.3 | Very low | 159 Ų | 159 | 109.7 Ų | 109.7 | 83% | 0.832 | 68% | 0.68 | S | S | * | * | trans | -65.8 | 120.3 | 144.3 | -77.7 | 108.9 | 0 | 0 | 0 | 107.8 | N818 | L816-N818 PolarHBondContact O-N 3.38Š| ||
| 817 | S | 45.1 | Very low | 42.4 | Very low | 95 Ų | 95 | 108 Ų | 108 | 66% | 0.664 | 67% | 0.665 | S | S | * | * | trans | -74.1 | 117.7 | -179 | 52 | 0 | 0 | 0 | 0 | 111.2 | S815 Y819 | S815-S817 PolarHBondContact O-N 2.93Å; S817-Y819 PolarHBondContact O-N 2.93Å | ||
| 818 | N | 51.3 | Low | 44.6 | Very low | 118 Ų | 118 | 109.6 Ų | 109.6 | 63% | 0.631 | 66% | 0.659 | S | S | * | * | trans | -71.4 | 22.4 | 179.3 | -71 | -23.5 | 0 | 0 | 0 | 114.7 | L816 Q826 T827 | L816-N818 PolarHBondContact O-N 3.38Å; N818-Q826 WeakPolarHBondContact O-CA 3.25Å; N818-T827 PolarHBondContact O-N 2.98Å; N818-T827 VanDerWaalsContact O-N 3.12Å | ||
| 819 | Y | 48.4 | Very low | 46.6 | Very low | 117 Ų | 117 | 109.1 Ų | 109.1 | 46% | 0.459 | 65% | 0.651 | S | S | . | * | B | Isolated β-bridge | trans | -119.9 | 136 | -171.9 | -65.2 | -80.9 | 0 | 0 | 0 | 110.2 | S817 P821 G824 N825 Q826 | S817-Y819 PolarHBondContact O-N 2.93Å; Y819-P821 WeakPolarHBondContact O-CD 3.17Å; Y819-G824 WeakPolarHBondContact CD1-O 3.3Å; Y819-N825 WeakPolarHBondContact CA-O 3.36Å; Y819-Q826 HydrophobicContact CD1-CB 4.49Å; Y819-Q826 HydrophobicContact CD1-CG 3.68Å; Y819-Q826 HydrophobicContact CE1-CB 4.44Å; Y819-Q826 HydrophobicContact CE1-CG 3.24Å; Y819-Q826 PolarHBondContact OH-NE2 2.98Å; Y819-Q826 VanDerWaalsContact OH-NE2 3.16Å |
| 820 | C | 47.8 | Very low | 48.6 | Very low | 36 Ų | 36 | 109.8 Ų | 109.8 | 24% | 0.243 | 65% | 0.646 | C | S | . | * | trans | -64.8 | 120.4 | 174.4 | 179.1 | 0 | 0 | 0 | 0 | 109.5 | T822 C823 G824 N825 T827 | C820-T822 PolarHBondContact O-N 3.23Å; C820-C823 PolarHBondContact O-N 3.31Å; C820-G824 WeakPolarHBondContact O-CA 3.39Å; C820-G824 PolarHBondContact O-N 3.47Å; C820-N825 PolarHBondContact N-O 2.98Å; C820-T827 PolarHBondContact N-OG1 3.44Å | ||
| 821 | P | 53.9 | Low | 50.7 | Low | 134 Ų | 134 | 109.9 Ų | 109.9 | 87% | 0.87 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -15 | -174.3 | 25.5 | -34.5 | 0 | 0 | 0 | 113.9 | Y819 | Y819-P821 WeakPolarHBondContact O-CD 3.17Š|
| 822 | T | 52.5 | Low | 52.7 | Low | 125 Ų | 125 | 107.4 Ų | 107.4 | 77% | 0.767 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -26 | -178.2 | -30.6 | 0 | 0 | 0 | 0 | 113.7 | C820 | C820-T822 PolarHBondContact O-N 3.23Š|
| 823 | C | 65.8 | Low | 55 | Low | 80 Ų | 80 | 106.8 Ų | 106.8 | 54% | 0.541 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -134.9 | -2 | -176.5 | 65.2 | 0 | 0 | 0 | 0 | 115.1 | C820 N825 | C820-C823 PolarHBondContact O-N 3.31Å; C823-N825 PolarHBondContact O-N 3.47Å; C823-N825 VanDerWaalsContact O-N 3.09Å |
| 824 | G | 53 | Low | 57.6 | Low | 48 Ų | 48 | 103.6 Ų | 103.6 | 50% | 0.495 | 58% | 0.584 | S | S | . | * | trans | 70.7 | -0.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y819 C820 | Y819-G824 WeakPolarHBondContact CD1-O 3.3Å; C820-G824 WeakPolarHBondContact O-CA 3.39Å; C820-G824 PolarHBondContact O-N 3.47Å | ||
| 825 | N | 56 | Low | 60.1 | Low | 115 Ų | 115 | 102 Ų | 102 | 62% | 0.615 | 57% | 0.57 | S | S | * | * | trans | -83.1 | 150.5 | 178.9 | -74.3 | -13.3 | 0 | 0 | 0 | 112.2 | Y819 C820 C823 T827 | Y819-N825 WeakPolarHBondContact CA-O 3.36Å; C820-N825 PolarHBondContact N-O 2.98Å; C823-N825 PolarHBondContact O-N 3.47Å; C823-N825 VanDerWaalsContact O-N 3.09Å; N825-T827 PolarHBondContact O-N 3.3Å | ||
| 826 | Q | 62 | Low | 62.7 | Low | 94 Ų | 94 | 101.7 Ų | 101.7 | 44% | 0.439 | 55% | 0.554 | S | S | . | * | B | Isolated β-bridge | trans | -66 | 117.5 | 179 | -69.5 | -173.8 | -0.3 | 0 | 0 | 110.8 | N818 Y819 K828 L829 | N818-Q826 WeakPolarHBondContact O-CA 3.25Å; Y819-Q826 HydrophobicContact CD1-CB 4.49Å; Y819-Q826 HydrophobicContact CD1-CG 3.68Å; Y819-Q826 HydrophobicContact CE1-CB 4.44Å; Y819-Q826 HydrophobicContact CE1-CG 3.24Å; Y819-Q826 PolarHBondContact OH-NE2 2.98Å; Y819-Q826 VanDerWaalsContact OH-NE2 3.16Å; Q826-K828 PolarHBondContact O-N 3.12Å; Q826-L829 HydrophobicContact CB-CB 4.29Å; Q826-L829 PolarHBondContact O-N 3.45Å |
| 827 | T | 67.1 | Low | 64.5 | Low | 63 Ų | 63 | 98.5 Ų | 98.5 | 39% | 0.387 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.8 | -31.5 | -176.4 | -32.3 | 0 | 0 | 0 | 0 | 111.8 | N818 C820 N825 Q831 | N818-T827 PolarHBondContact O-N 2.98Å; N818-T827 VanDerWaalsContact O-N 3.12Å; C820-T827 PolarHBondContact N-OG1 3.44Å; N825-T827 PolarHBondContact O-N 3.3Å; T827-Q831 WeakPolarHBondContact O-CG 3.18Å; T827-Q831 PolarHBondContact O-N 3.43Å |
| 828 | K | 71.3 | Confident | 66.4 | Low | 134 Ų | 134 | 99.4 Ų | 99.4 | 58% | 0.583 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.8 | -45.9 | -179.8 | -170 | 178.2 | 176.2 | -172.5 | 0 | 112.7 | Q826 L830 Q831 D832 | Q826-K828 PolarHBondContact O-N 3.12Å; K828-L830 PolarHBondContact O-N 3.12Å; K828-Q831 WeakPolarHBondContact O-CB 3.32Å; K828-Q831 PolarHBondContact O-N 3.28Å; K828-D832 PolarHBondContact O-N 3.08Å |
| 829 | L | 68.3 | Low | 68 | Low | 120 Ų | 120 | 100.3 Ų | 100.3 | 63% | 0.628 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.9 | -38.4 | 178.8 | -170 | 75.5 | 0 | 0 | 0 | 111.5 | Q826 D832 H833 | Q826-L829 HydrophobicContact CB-CB 4.29Å; Q826-L829 PolarHBondContact O-N 3.45Å; L829-D832 PolarHBondContact O-N 3.36Å; L829-H833 WeakPolarHBondContact O-CB 3.44Å; L829-H833 PolarHBondContact O-N 3.29Å |
| 830 | L | 68.5 | Low | 69.3 | Low | 125 Ų | 125 | 99.2 Ų | 99.2 | 65% | 0.654 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.8 | -40.3 | 176.4 | -159.4 | 79.1 | 0 | 0 | 0 | 112 | K828 V834 | K828-L830 PolarHBondContact O-N 3.12Å; L830-V834 WeakPolarHBondContact O-CG2 3.13Å; L830-V834 PolarHBondContact O-N 3.44Å |
| 831 | Q | 71.7 | Confident | 71 | Confident | 121 Ų | 121 | 102.4 Ų | 102.4 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.9 | -46.2 | 174.7 | -73.9 | 176.6 | -32.3 | 0 | 0 | 111.7 | T827 K828 H833 V834 I835 | T827-Q831 WeakPolarHBondContact O-CG 3.18Å; T827-Q831 PolarHBondContact O-N 3.43Å; K828-Q831 WeakPolarHBondContact O-CB 3.32Å; K828-Q831 PolarHBondContact O-N 3.28Å; Q831-H833 VanDerWaalsContact C-N 3.31Å; Q831-H833 PolarHBondContact O-N 3.07Å; Q831-V834 PolarHBondContact O-N 3.04Å; Q831-I835 WeakPolarHBondContact O-CG1 3.37Å; Q831-I835 PolarHBondContact O-N 3.13Å |
| 832 | D | 72.7 | Confident | 72.4 | Confident | 82 Ų | 82 | 102 Ų | 102 | 44% | 0.439 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 179.4 | -65.3 | -28.5 | 0 | 0 | 0 | 111 | K828 L829 I835 F836 | K828-D832 PolarHBondContact O-N 3.08Å; L829-D832 PolarHBondContact O-N 3.36Å; D832-I835 PolarHBondContact O-N 2.93Å; D832-F836 PolarHBondContact O-N 3.29Å |
| 833 | H | 75.1 | Confident | 73.8 | Confident | 107 Ų | 107 | 100.1 Ų | 100.1 | 50% | 0.495 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 174.6 | -165.6 | 81.5 | 0 | 0 | 0 | 113.2 | L829 Q831 F836 L837 | L829-H833 WeakPolarHBondContact O-CB 3.44Å; L829-H833 PolarHBondContact O-N 3.29Å; Q831-H833 VanDerWaalsContact C-N 3.31Å; Q831-H833 PolarHBondContact O-N 3.07Å; H833-F836 PolarHBondContact O-N 3.41Å; H833-L837 WeakPolarHBondContact O-CG 3.41Å; H833-L837 PolarHBondContact O-N 3.15Å |
| 834 | V | 79.4 | Confident | 74 | Confident | 71 Ų | 71 | 101.6 Ų | 101.6 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 173.9 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | L830 Q831 L837 Q838 | L830-V834 WeakPolarHBondContact O-CG2 3.13Å; L830-V834 PolarHBondContact O-N 3.44Å; Q831-V834 PolarHBondContact O-N 3.04Å; V834-L837 PolarHBondContact O-N 3.35Å; V834-Q838 WeakPolarHBondContact O-CG 3.44Å; V834-Q838 PolarHBondContact O-N 3.39Å |
| 835 | I | 81.9 | Confident | 75.3 | Confident | 83 Ų | 83 | 106.9 Ų | 106.9 | 43% | 0.426 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 175.7 | -67.4 | 164.7 | 0 | 0 | 0 | 110.9 | Q831 D832 Q838 K839 | Q831-I835 WeakPolarHBondContact O-CG1 3.37Å; Q831-I835 PolarHBondContact O-N 3.13Å; D832-I835 PolarHBondContact O-N 2.93Å; I835-Q838 PolarHBondContact O-N 2.84Å; I835-K839 PolarHBondContact O-N 2.92Å |
| 836 | F | 86.8 | Confident | 76.5 | Confident | 109 Ų | 109 | 106.7 Ų | 106.7 | 48% | 0.478 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 174.7 | 175.6 | -96.9 | 0 | 0 | 0 | 112.1 | D832 H833 Q838 K839 Q840 | D832-F836 PolarHBondContact O-N 3.29Å; H833-F836 PolarHBondContact O-N 3.41Å; F836-Q838 VanDerWaalsContact C-N 3.34Å; F836-Q838 PolarHBondContact O-N 3.42Å; F836-K839 PolarHBondContact O-N 3.27Å; F836-Q840 HydrophobicContact CD1-CG 4.31Å; F836-Q840 HydrophobicContact CE1-CG 3.85Å; F836-Q840 HydrophobicContact CE2-CG 4.31Å; F836-Q840 HydrophobicContact CZ-CG 3.86Å; F836-Q840 PolarHBondContact O-N 3.43Å |
| 837 | L | 76.6 | Confident | 77.3 | Confident | 92 Ų | 92 | 105.3 Ų | 105.3 | 48% | 0.482 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.8 | -38.4 | 177.5 | -70.6 | 175.1 | 0 | 0 | 0 | 112.3 | H833 V834 Q840 L841 | H833-L837 WeakPolarHBondContact O-CG 3.41Å; H833-L837 PolarHBondContact O-N 3.15Å; V834-L837 PolarHBondContact O-N 3.35Å; L837-Q840 PolarHBondContact O-N 2.81Å; L837-L841 WeakPolarHBondContact O-CB 3.14Å; L837-L841 PolarHBondContact O-N 2.93Å |
| 838 | Q | 85.1 | Confident | 77.8 | Confident | 114 Ų | 114 | 106.3 Ų | 106.3 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 173.5 | -76.7 | 179 | -6 | 0 | 0 | 112.2 | V834 I835 F836 L841 Q842 | V834-Q838 WeakPolarHBondContact O-CG 3.44Å; V834-Q838 PolarHBondContact O-N 3.39Å; I835-Q838 PolarHBondContact O-N 2.84Å; F836-Q838 VanDerWaalsContact C-N 3.34Å; F836-Q838 PolarHBondContact O-N 3.42Å; Q838-L841 PolarHBondContact O-N 3.27Å; Q838-Q842 WeakPolarHBondContact O-CB 3.23Å; Q838-Q842 PolarHBondContact O-N 3.45Å |
| 839 | K | 85.3 | Confident | 78.5 | Confident | 137 Ų | 137 | 105 Ų | 105 | 60% | 0.596 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.6 | -46.9 | 174.7 | -74.7 | 179.9 | 177.7 | -178.7 | 0 | 111.6 | I835 F836 L841 Q842 T843 | I835-K839 PolarHBondContact O-N 2.92Å; F836-K839 PolarHBondContact O-N 3.27Å; K839-L841 PolarHBondContact O-N 2.98Å; K839-Q842 PolarHBondContact O-N 3.44Å; K839-T843 PolarHBondContact O-N 2.98Å; K839-T843 PolarHBondContact O-OG1 2.79Å; K839-T843 VanDerWaalsContact O-OG1 3.12Å |
| 840 | Q | 75.7 | Confident | 78.8 | Confident | 93 Ų | 93 | 101.9 Ų | 101.9 | 44% | 0.435 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 178.1 | -72.7 | -66.3 | -9.4 | 0 | 0 | 112.2 | F836 L837 Q842 T843 Q844 | F836-Q840 HydrophobicContact CD1-CG 4.31Å; F836-Q840 HydrophobicContact CE1-CG 3.85Å; F836-Q840 HydrophobicContact CE2-CG 4.31Å; F836-Q840 HydrophobicContact CZ-CG 3.86Å; F836-Q840 PolarHBondContact O-N 3.43Å; L837-Q840 PolarHBondContact O-N 2.81Å; Q840-Q842 VanDerWaalsContact C-N 3.33Å; Q840-Q842 PolarHBondContact O-N 2.91Å; Q840-T843 PolarHBondContact O-N 2.84Å; Q840-Q844 PolarHBondContact O-N 2.7Å |
| 841 | L | 82.7 | Confident | 79.2 | Confident | 103 Ų | 103 | 101.1 Ų | 101.1 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 176.2 | -166.2 | 75 | 0 | 0 | 0 | 111.6 | L837 Q838 K839 Q844 Y845 | L837-L841 WeakPolarHBondContact O-CB 3.14Å; L837-L841 PolarHBondContact O-N 2.93Å; Q838-L841 PolarHBondContact O-N 3.27Å; K839-L841 PolarHBondContact O-N 2.98Å; L841-Q844 PolarHBondContact O-N 2.91Å; L841-Y845 HydrophobicContact CD1-CE2 4.28Å; L841-Y845 HydrophobicContact CD2-CE2 4.07Å; L841-Y845 HydrophobicContact CG-CD2 4.05Å; L841-Y845 HydrophobicContact CG-CE2 3.82Å; L841-Y845 VanDerWaalsContact O-CD2 3.27Å; L841-Y845 WeakPolarHBondContact O-CD2 3.47Å; L841-Y845 PolarHBondContact O-N 2.82Å |
| 842 | Q | 83.4 | Confident | 79.6 | Confident | 126 Ų | 126 | 99 Ų | 99 | 59% | 0.589 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.2 | -37.2 | 178 | -167.6 | 173.6 | 22.3 | 0 | 0 | 112.6 | Q838 K839 Q840 Y845 K846 | Q838-Q842 WeakPolarHBondContact O-CB 3.23Å; Q838-Q842 PolarHBondContact O-N 3.45Å; K839-Q842 PolarHBondContact O-N 3.44Å; Q840-Q842 VanDerWaalsContact C-N 3.33Å; Q840-Q842 PolarHBondContact O-N 2.91Å; Q842-Y845 PolarHBondContact O-N 3.04Å; Q842-K846 PolarHBondContact O-N 3.33Å; Q842-K846 VanDerWaalsContact O-N 3.14Å |
| 843 | T | 82.4 | Confident | 79.8 | Confident | 86 Ų | 86 | 100.7 Ų | 100.7 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 172.7 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | K839 Q840 K846 S847 | K839-T843 PolarHBondContact O-N 2.98Å; K839-T843 PolarHBondContact O-OG1 2.79Å; K839-T843 VanDerWaalsContact O-OG1 3.12Å; Q840-T843 PolarHBondContact O-N 2.84Å; T843-K846 PolarHBondContact O-N 2.87Å; T843-S847 PolarHBondContact O-N 3.38Å |
| 844 | Q | 69.8 | Low | 80.1 | Confident | 111 Ų | 111 | 99.2 Ų | 99.2 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 175.4 | -77.8 | -69.1 | -18.4 | 0 | 0 | 112.5 | Q840 L841 K846 S847 N848 | Q840-Q844 PolarHBondContact O-N 2.7Å; L841-Q844 PolarHBondContact O-N 2.91Å; Q844-K846 VanDerWaalsContact C-N 3.34Å; Q844-K846 PolarHBondContact O-N 3.16Å; Q844-S847 WeakPolarHBondContact O-CB 3.38Å; Q844-S847 PolarHBondContact O-N 3.37Å; Q844-N848 PolarHBondContact O-N 2.81Å |
| 845 | Y | 79.4 | Confident | 80.1 | Confident | 159 Ų | 159 | 100 Ų | 100 | 62% | 0.624 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.1 | -42.3 | 174.7 | -86.5 | -69.4 | 0 | 0 | 0 | 112.7 | L841 Q842 N848 E849 | L841-Y845 HydrophobicContact CD1-CE2 4.28Å; L841-Y845 HydrophobicContact CD2-CE2 4.07Å; L841-Y845 HydrophobicContact CG-CD2 4.05Å; L841-Y845 HydrophobicContact CG-CE2 3.82Å; L841-Y845 VanDerWaalsContact O-CD2 3.27Å; L841-Y845 WeakPolarHBondContact O-CD2 3.47Å; L841-Y845 PolarHBondContact O-N 2.82Å; Q842-Y845 PolarHBondContact O-N 3.04Å; Y845-N848 PolarHBondContact O-N 3.31Å; Y845-E849 WeakPolarHBondContact O-CB 3.36Å; Y845-E849 PolarHBondContact O-N 3.07Å |
| 846 | K | 82.1 | Confident | 80.2 | Confident | 110 Ų | 110 | 102 Ų | 102 | 48% | 0.478 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 175.3 | -73.7 | -174.8 | 172.8 | -162.6 | 0 | 112.7 | Q842 T843 Q844 E849 A850 | Q842-K846 PolarHBondContact O-N 3.33Å; Q842-K846 VanDerWaalsContact O-N 3.14Å; T843-K846 PolarHBondContact O-N 2.87Å; Q844-K846 VanDerWaalsContact C-N 3.34Å; Q844-K846 PolarHBondContact O-N 3.16Å; K846-E849 PolarHBondContact O-N 3.04Å; K846-A850 WeakPolarHBondContact O-CB 3.49Å; K846-A850 PolarHBondContact O-N 2.64Å |
| 847 | S | 79.1 | Confident | 79.8 | Confident | 65 Ų | 65 | 99.5 Ų | 99.5 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59 | -48.9 | 175.6 | -166.2 | 0 | 0 | 0 | 0 | 111.1 | T843 Q844 E849 A850 E851 | T843-S847 PolarHBondContact O-N 3.38Å; Q844-S847 WeakPolarHBondContact O-CB 3.38Å; Q844-S847 PolarHBondContact O-N 3.37Å; S847-E849 VanDerWaalsContact C-N 3.34Å; S847-E849 PolarHBondContact O-N 2.9Å; S847-A850 PolarHBondContact O-N 3.32Å; S847-E851 PolarHBondContact O-N 2.79Å |
| 848 | N | 77.5 | Confident | 79.6 | Confident | 85 Ų | 85 | 99.6 Ų | 99.6 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -34.9 | 178.6 | -65.8 | -7.1 | 0 | 0 | 0 | 112.5 | Q844 Y845 S852 | Q844-N848 PolarHBondContact O-N 2.81Å; Y845-N848 PolarHBondContact O-N 3.31Å; N848-S852 VanDerWaalsContact O-CB 3.29Å; N848-S852 WeakPolarHBondContact O-CB 3.37Å; N848-S852 PolarHBondContact O-N 3.48Å |
| 849 | E | 85.4 | Confident | 79.3 | Confident | 105 Ų | 105 | 97.2 Ų | 97.2 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 174.2 | -165 | -169.6 | 150.4 | 0 | 0 | 111.7 | Y845 K846 S847 S852 K853 | Y845-E849 WeakPolarHBondContact O-CB 3.36Å; Y845-E849 PolarHBondContact O-N 3.07Å; K846-E849 PolarHBondContact O-N 3.04Å; S847-E849 VanDerWaalsContact C-N 3.34Å; S847-E849 PolarHBondContact O-N 2.9Å; E849-S852 PolarHBondContact O-N 2.9Å; E849-K853 WeakPolarHBondContact O-CG 3.39Å; E849-K853 PolarHBondContact O-N 3.09Å; E849-K853 WeakPolarHBondContact OE1-CE 3.46Å; E849-K853 IonicContact OE1-NZ 3.14Å; E849-K853 PolarHBondContact OE1-NZ 3.05Å |
| 850 | A | 73.6 | Confident | 79 | Confident | 56 Ų | 56 | 95.2 Ų | 95.2 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K846 S847 K853 L854 | K846-A850 WeakPolarHBondContact O-CB 3.49Å; K846-A850 PolarHBondContact O-N 2.64Å; S847-A850 PolarHBondContact O-N 3.32Å; A850-K853 PolarHBondContact O-N 3.08Å; A850-L854 WeakPolarHBondContact O-CB 3.47Å; A850-L854 PolarHBondContact O-N 2.91Å |
| 851 | E | 76.8 | Confident | 78.9 | Confident | 109 Ų | 109 | 92.9 Ų | 92.9 | 51% | 0.509 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 175.3 | -169.9 | 179.9 | 168.1 | 0 | 0 | 111.8 | S847 K853 L854 N855 | S847-E851 PolarHBondContact O-N 2.79Å; E851-K853 PolarHBondContact O-N 3.13Å; E851-L854 PolarHBondContact O-N 2.93Å; E851-N855 WeakPolarHBondContact O-CB 3.35Å; E851-N855 PolarHBondContact O-N 3.27Å; E851-N855 PolarHBondContact O-ND2 2.99Å |
| 852 | S | 80.3 | Confident | 78.5 | Confident | 77 Ų | 77 | 92.8 Ų | 92.8 | 54% | 0.538 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 174.6 | -174.1 | 0 | 0 | 0 | 0 | 112.4 | N848 E849 N855 Q856 | N848-S852 VanDerWaalsContact O-CB 3.29Å; N848-S852 WeakPolarHBondContact O-CB 3.37Å; N848-S852 PolarHBondContact O-N 3.48Å; E849-S852 PolarHBondContact O-N 2.9Å; S852-N855 PolarHBondContact O-N 2.97Å; S852-Q856 WeakPolarHBondContact O-CB 3.48Å; S852-Q856 PolarHBondContact O-N 2.95Å |
| 853 | K | 78 | Confident | 78.4 | Confident | 116 Ų | 116 | 92.6 Ų | 92.6 | 50% | 0.504 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 174 | -73.1 | 169.1 | -174 | 165.6 | 0 | 112.2 | E849 A850 E851 Q856 L857 | E849-K853 WeakPolarHBondContact O-CG 3.39Å; E849-K853 PolarHBondContact O-N 3.09Å; E849-K853 WeakPolarHBondContact OE1-CE 3.46Å; E849-K853 IonicContact OE1-NZ 3.14Å; E849-K853 PolarHBondContact OE1-NZ 3.05Å; A850-K853 PolarHBondContact O-N 3.08Å; E851-K853 PolarHBondContact O-N 3.13Å; K853-Q856 PolarHBondContact O-N 3.09Å; K853-L857 WeakPolarHBondContact O-CB 3.15Å; K853-L857 PolarHBondContact O-N 3.33Å |
| 854 | L | 81.5 | Confident | 78.6 | Confident | 77 Ų | 77 | 93 Ų | 93 | 40% | 0.403 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 176.3 | -177.6 | 62.6 | 0 | 0 | 0 | 111.2 | A850 E851 Q856 L857 H858 | A850-L854 WeakPolarHBondContact O-CB 3.47Å; A850-L854 PolarHBondContact O-N 2.91Å; E851-L854 PolarHBondContact O-N 2.93Å; L854-Q856 PolarHBondContact O-N 3.09Å; L854-L857 PolarHBondContact O-N 3.3Å; L854-L857 VanDerWaalsContact O-N 3.16Å; L854-H858 PolarHBondContact O-N 3.23Å |
| 855 | N | 79.3 | Confident | 78.9 | Confident | 86 Ų | 86 | 91.2 Ų | 91.2 | 46% | 0.46 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 176.6 | -73.8 | -29.4 | 0 | 0 | 0 | 112.4 | E851 S852 H858 S859 | E851-N855 WeakPolarHBondContact O-CB 3.35Å; E851-N855 PolarHBondContact O-N 3.27Å; E851-N855 PolarHBondContact O-ND2 2.99Å; S852-N855 PolarHBondContact O-N 2.97Å; N855-H858 PolarHBondContact O-N 2.92Å; N855-S859 WeakPolarHBondContact O-CB 3.29Å; N855-S859 PolarHBondContact O-N 3.36Å |
| 856 | Q | 84 | Confident | 79.1 | Confident | 125 Ų | 125 | 87.9 Ų | 87.9 | 58% | 0.584 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.7 | -41.4 | 172.3 | -171.1 | -178.5 | 15.4 | 0 | 0 | 111.7 | S852 K853 L854 S859 N860 | S852-Q856 WeakPolarHBondContact O-CB 3.48Å; S852-Q856 PolarHBondContact O-N 2.95Å; K853-Q856 PolarHBondContact O-N 3.09Å; L854-Q856 PolarHBondContact O-N 3.09Å; Q856-S859 PolarHBondContact O-N 2.91Å; Q856-N860 WeakPolarHBondContact O-CB 3.38Å; Q856-N860 VanDerWaalsContact O-CG 3.23Å; Q856-N860 PolarHBondContact O-N 3.41Å; Q856-N860 PolarHBondContact O-ND2 3.45Å |
| 857 | L | 77.4 | Confident | 79.3 | Confident | 58 Ų | 58 | 88.2 Ų | 88.2 | 30% | 0.304 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 178.5 | -166.8 | 149.1 | 0 | 0 | 0 | 111.5 | V725 K853 L854 S859 N860 S861 | V725-L857 HydrophobicContact CG1-CD2 3.66Å; K853-L857 WeakPolarHBondContact O-CB 3.15Å; K853-L857 PolarHBondContact O-N 3.33Å; L854-L857 PolarHBondContact O-N 3.3Å; L854-L857 VanDerWaalsContact O-N 3.16Å; L857-S859 PolarHBondContact O-N 3.45Å; L857-N860 PolarHBondContact O-N 3.36Å; L857-S861 PolarHBondContact O-N 2.8Å; L857-S861 PolarHBondContact O-OG 3.41Å |
| 858 | H | 73 | Confident | 79.4 | Confident | 93 Ų | 93 | 86.1 Ų | 86.1 | 43% | 0.431 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58.4 | -45.4 | 172.7 | -68.7 | 165.8 | 0 | 0 | 0 | 112 | L854 N855 N860 S861 I862 | L854-H858 PolarHBondContact O-N 3.23Å; N855-H858 PolarHBondContact O-N 2.92Å; H858-N860 PolarHBondContact O-N 3.41Å; H858-S861 PolarHBondContact O-N 3.25Å; H858-I862 WeakPolarHBondContact O-CG1 3.45Å; H858-I862 PolarHBondContact O-N 2.7Å |
| 859 | S | 78 | Confident | 79.6 | Confident | 64 Ų | 64 | 85.4 Ų | 85.4 | 45% | 0.448 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 175.8 | -173.5 | 0 | 0 | 0 | 0 | 112.1 | N855 Q856 L857 S861 I862 Q863 | N855-S859 WeakPolarHBondContact O-CB 3.29Å; N855-S859 PolarHBondContact O-N 3.36Å; Q856-S859 PolarHBondContact O-N 2.91Å; L857-S859 PolarHBondContact O-N 3.45Å; S859-S861 PolarHBondContact O-N 2.91Å; S859-I862 PolarHBondContact O-N 2.91Å; S859-Q863 WeakPolarHBondContact O-CG 3.47Å; S859-Q863 PolarHBondContact O-N 2.9Å |
| 860 | N | 80.1 | Confident | 79.7 | Confident | 96 Ų | 96 | 86.7 Ų | 86.7 | 51% | 0.513 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 175.8 | -70.6 | -19.2 | 0 | 0 | 0 | 112.5 | Q856 L857 H858 F864 | Q856-N860 WeakPolarHBondContact O-CB 3.38Å; Q856-N860 VanDerWaalsContact O-CG 3.23Å; Q856-N860 PolarHBondContact O-N 3.41Å; Q856-N860 PolarHBondContact O-ND2 3.45Å; L857-N860 PolarHBondContact O-N 3.36Å; H858-N860 PolarHBondContact O-N 3.41Å; N860-F864 WeakPolarHBondContact O-CB 3.27Å; N860-F864 PolarHBondContact O-N 3.13Å |
| 861 | S | 72.2 | Confident | 80.3 | Confident | 44 Ų | 44 | 89 Ų | 89 | 31% | 0.308 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 174.7 | -65.3 | 0 | 0 | 0 | 0 | 112.5 | L857 H858 S859 F864 L865 | L857-S861 PolarHBondContact O-N 2.8Å; L857-S861 PolarHBondContact O-OG 3.41Å; H858-S861 PolarHBondContact O-N 3.25Å; S859-S861 PolarHBondContact O-N 2.91Å; S861-F864 PolarHBondContact O-N 3.42Å; S861-L865 WeakPolarHBondContact O-CG 3.3Å; S861-L865 PolarHBondContact O-N 3.05Å |
| 862 | I | 75.6 | Confident | 80.3 | Confident | 101 Ų | 101 | 87.3 Ų | 87.3 | 52% | 0.518 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 176.1 | -68.5 | 166 | 0 | 0 | 0 | 110.6 | H858 S859 F864 L865 L866 | H858-I862 WeakPolarHBondContact O-CG1 3.45Å; H858-I862 PolarHBondContact O-N 2.7Å; S859-I862 PolarHBondContact O-N 2.91Å; I862-F864 VanDerWaalsContact C-N 3.34Å; I862-F864 PolarHBondContact O-N 3.2Å; I862-L865 PolarHBondContact O-N 3.41Å; I862-L866 HydrophobicContact CG2-CD1 4.04Å; I862-L866 HydrophobicContact CG2-CG 4.43Å; I862-L866 WeakPolarHBondContact O-CG 3.44Å; I862-L866 PolarHBondContact O-N 2.96Å |
| 863 | Q | 80.5 | Confident | 80.4 | Confident | 122 Ų | 122 | 89.9 Ų | 89.9 | 57% | 0.57 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.6 | -39.6 | 176.4 | -71.8 | -65.5 | -43.5 | 0 | 0 | 112.6 | S859 K867 | S859-Q863 WeakPolarHBondContact O-CG 3.47Å; S859-Q863 PolarHBondContact O-N 2.9Å; Q863-K867 PolarHBondContact O-N 3.13Å; Q863-K867 VanDerWaalsContact O-N 3.12Å |
| 864 | F | 86.8 | Confident | 80.8 | Confident | 93 Ų | 93 | 87 Ų | 87 | 41% | 0.408 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 173.9 | 178.4 | -90.9 | 0 | 0 | 0 | 112.2 | N860 S861 I862 K867 E868 | N860-F864 WeakPolarHBondContact O-CB 3.27Å; N860-F864 PolarHBondContact O-N 3.13Å; S861-F864 PolarHBondContact O-N 3.42Å; I862-F864 VanDerWaalsContact C-N 3.34Å; I862-F864 PolarHBondContact O-N 3.2Å; F864-K867 PolarHBondContact O-N 3.03Å; F864-E868 HydrophobicContact CD1-CG 4.39Å; F864-E868 HydrophobicContact CE1-CG 3.77Å; F864-E868 HydrophobicContact CZ-CG 3.89Å; F864-E868 WeakPolarHBondContact CZ-OE1 3.36Å; F864-E868 PolarHBondContact O-N 3.32Å |
| 865 | L | 75.5 | Confident | 81.1 | Confident | 74 Ų | 74 | 90.4 Ų | 90.4 | 39% | 0.387 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66 | -41.2 | 178.9 | -71.7 | 169.7 | 0 | 0 | 0 | 112.3 | I718 S861 I862 K867 E868 V869 | I718-L865 HydrophobicContact CG1-CD2 4.34Å; S861-L865 WeakPolarHBondContact O-CG 3.3Å; S861-L865 PolarHBondContact O-N 3.05Å; I862-L865 PolarHBondContact O-N 3.41Å; L865-K867 VanDerWaalsContact C-N 3.29Å; L865-K867 PolarHBondContact O-N 3.4Å; L865-E868 PolarHBondContact O-N 2.96Å; L865-V869 WeakPolarHBondContact O-CG2 3.36Å; L865-V869 PolarHBondContact O-N 3.19Å |
| 866 | L | 84.6 | Confident | 81.1 | Confident | 90 Ų | 90 | 91.1 Ų | 91.1 | 47% | 0.471 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -58.1 | -43.4 | 173.9 | -73.6 | 170.2 | 0 | 0 | 0 | 111.2 | I862 V869 E870 | I862-L866 HydrophobicContact CG2-CD1 4.04Å; I862-L866 HydrophobicContact CG2-CG 4.43Å; I862-L866 WeakPolarHBondContact O-CG 3.44Å; I862-L866 PolarHBondContact O-N 2.96Å; L866-V869 PolarHBondContact O-N 3.44Å; L866-E870 PolarHBondContact O-N 3.09Å |
| 867 | K | 87.1 | Confident | 81.3 | Confident | 117 Ų | 117 | 91.9 Ų | 91.9 | 51% | 0.509 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 176 | -168.4 | -173.7 | 178.9 | -125.1 | 0 | 112.9 | Q863 F864 L865 V869 E870 E871 | Q863-K867 PolarHBondContact O-N 3.13Å; Q863-K867 VanDerWaalsContact O-N 3.12Å; F864-K867 PolarHBondContact O-N 3.03Å; L865-K867 VanDerWaalsContact C-N 3.29Å; L865-K867 PolarHBondContact O-N 3.4Å; K867-V869 VanDerWaalsContact C-N 3.27Å; K867-V869 PolarHBondContact O-N 3.2Å; K867-E870 PolarHBondContact O-N 3.32Å; K867-E871 WeakPolarHBondContact CE-OE1 3.29Å; K867-E871 IonicContact NZ-OE1 2.68Å; K867-E871 PolarHBondContact NZ-OE1 2.96Å; K867-E871 WeakPolarHBondContact O-CG 3.4Å; K867-E871 PolarHBondContact O-N 3.36Å |
| 868 | E | 81.2 | Confident | 81.7 | Confident | 20 Ų | 20 | 91.6 Ų | 91.6 | 9% | 0.093 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -62.5 | -34.9 | 174.8 | -72.9 | -159.3 | 136.9 | 0 | 0 | 111.9 | K717 F864 L865 E871 L872 | K717-E868 VanDerWaalsContact CE-OE1 3.27Å; K717-E868 WeakPolarHBondContact CE-OE1 3.44Å; K717-E868 IonicContact NZ-OE1 2.64Å; K717-E868 PolarHBondContact NZ-OE1 3.44Å; F864-E868 HydrophobicContact CD1-CG 4.39Å; F864-E868 HydrophobicContact CE1-CG 3.77Å; F864-E868 HydrophobicContact CZ-CG 3.89Å; F864-E868 WeakPolarHBondContact CZ-OE1 3.36Å; F864-E868 PolarHBondContact O-N 3.32Å; L865-E868 PolarHBondContact O-N 2.96Å; E868-E871 PolarHBondContact O-N 3.34Å; E868-L872 VanDerWaalsContact O-CG 3.3Å; E868-L872 WeakPolarHBondContact O-CG 3.39Å; E868-L872 PolarHBondContact O-N 3.45Å |
| 869 | V | 80.5 | Confident | 82.1 | Confident | 70 Ų | 70 | 89.8 Ų | 89.8 | 42% | 0.424 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.8 | -39.8 | 174.7 | 171 | 0 | 0 | 0 | 0 | 111.9 | L865 L866 K867 L872 K873 | L865-V869 WeakPolarHBondContact O-CG2 3.36Å; L865-V869 PolarHBondContact O-N 3.19Å; L866-V869 PolarHBondContact O-N 3.44Å; K867-V869 VanDerWaalsContact C-N 3.27Å; K867-V869 PolarHBondContact O-N 3.2Å; V869-L872 PolarHBondContact O-N 3.42Å; V869-K873 WeakPolarHBondContact O-CG 3.32Å; V869-K873 PolarHBondContact O-N 2.94Å |
| 870 | E | 87 | Confident | 82.1 | Confident | 133 Ų | 133 | 90 Ų | 90 | 62% | 0.621 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64 | -44 | 173.5 | -72.1 | 177.3 | 172.5 | 0 | 0 | 112.2 | L866 K867 L872 K873 A874 | L866-E870 PolarHBondContact O-N 3.09Å; K867-E870 PolarHBondContact O-N 3.32Å; E870-L872 VanDerWaalsContact C-N 3.29Å; E870-L872 PolarHBondContact O-N 3.3Å; E870-K873 PolarHBondContact O-N 3.34Å; E870-A874 PolarHBondContact O-N 2.57Å |
| 871 | E | 86.2 | Confident | 82.3 | Confident | 105 Ų | 105 | 90.9 Ų | 90.9 | 49% | 0.491 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.2 | -37.3 | 175.7 | -72.2 | 177.9 | -169.1 | 0 | 0 | 111.7 | K867 E868 W875 | K867-E871 WeakPolarHBondContact CE-OE1 3.29Å; K867-E871 IonicContact NZ-OE1 2.68Å; K867-E871 PolarHBondContact NZ-OE1 2.96Å; K867-E871 WeakPolarHBondContact O-CG 3.4Å; K867-E871 PolarHBondContact O-N 3.36Å; E868-E871 PolarHBondContact O-N 3.34Å; E871-W875 WeakPolarHBondContact O-CB 3.3Å; E871-W875 PolarHBondContact O-N 3.22Å; E871-W875 VanDerWaalsContact O-N 3.09Å |
| 872 | L | 76.8 | Confident | 82.5 | Confident | 73 Ų | 73 | 95.2 Ų | 95.2 | 38% | 0.382 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.6 | -38.6 | 174.4 | -74.3 | 169.8 | 0 | 0 | 0 | 113.2 | L714 E868 V869 E870 W875 K876 | L714-L872 HydrophobicContact CD1-CD1 4.05Å; E868-L872 VanDerWaalsContact O-CG 3.3Å; E868-L872 WeakPolarHBondContact O-CG 3.39Å; E868-L872 PolarHBondContact O-N 3.45Å; V869-L872 PolarHBondContact O-N 3.42Å; E870-L872 VanDerWaalsContact C-N 3.29Å; E870-L872 PolarHBondContact O-N 3.3Å; L872-W875 PolarHBondContact O-N 3.21Å; L872-K876 PolarHBondContact O-N 2.98Å |
| 873 | K | 83 | Confident | 82.5 | Confident | 130 Ų | 130 | 95.4 Ų | 95.4 | 57% | 0.565 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.4 | -48.7 | 173.7 | -75.9 | -179.3 | 177.2 | -173.7 | 0 | 111.3 | V869 E870 W875 K876 E877 | V869-K873 WeakPolarHBondContact O-CG 3.32Å; V869-K873 PolarHBondContact O-N 2.94Å; E870-K873 PolarHBondContact O-N 3.34Å; K873-W875 PolarHBondContact O-N 2.89Å; K873-K876 PolarHBondContact O-N 3.46Å; K873-K876 VanDerWaalsContact O-N 3.13Å; K873-E877 PolarHBondContact O-N 3.17Å |
| 874 | A | 87.5 | Confident | 82.4 | Confident | 56 Ų | 56 | 93.3 Ų | 93.3 | 46% | 0.463 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.3 | -33.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E870 S878 | E870-A874 PolarHBondContact O-N 2.57Å; A874-S878 WeakPolarHBondContact O-CB 3.41Å; A874-S878 PolarHBondContact O-N 2.91Å |
| 875 | W | 86.5 | Confident | 82 | Confident | 148 Ų | 148 | 93.1 Ų | 93.1 | 56% | 0.561 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -70.1 | -41.8 | 174 | -174.3 | 81.7 | 0 | 0 | 0 | 112.8 | E871 L872 K873 E877 S878 I879 | E871-W875 WeakPolarHBondContact O-CB 3.3Å; E871-W875 PolarHBondContact O-N 3.22Å; E871-W875 VanDerWaalsContact O-N 3.09Å; L872-W875 PolarHBondContact O-N 3.21Å; K873-W875 PolarHBondContact O-N 2.89Å; W875-E877 PolarHBondContact O-N 2.88Å; W875-S878 PolarHBondContact O-N 3.49Å; W875-I879 HydrophobicContact CD2-CD1 3.77Å; W875-I879 VanDerWaalsContact CE2-CD1 3.41Å; W875-I879 HydrophobicContact CE3-CD1 3.94Å; W875-I879 HydrophobicContact CH2-CD1 3.5Å; W875-I879 VanDerWaalsContact CH2-CD1 3.5Å; W875-I879 HydrophobicContact CZ2-CD1 3.3Å; W875-I879 HydrophobicContact CZ3-CD1 3.81Å; W875-I879 PolarHBondContact O-N 3.32Å |
| 876 | K | 80.7 | Confident | 81.6 | Confident | 101 Ų | 101 | 92.9 Ų | 92.9 | 44% | 0.439 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57.9 | -46.6 | 172.9 | -176.6 | 173.5 | 179 | 171 | 0 | 110.8 | D705 L872 K873 I879 S880 | D705-K876 IonicContact OD2-NZ 2.69Å; D705-K876 PolarHBondContact OD2-NZ 3.32Å; L872-K876 PolarHBondContact O-N 2.98Å; K873-K876 PolarHBondContact O-N 3.46Å; K873-K876 VanDerWaalsContact O-N 3.13Å; K876-I879 PolarHBondContact O-N 2.96Å; K876-S880 WeakPolarHBondContact O-CB 3.44Å; K876-S880 PolarHBondContact O-N 2.82Å |
| 877 | E | 87.3 | Confident | 80.8 | Confident | 141 Ų | 141 | 93.4 Ų | 93.4 | 66% | 0.659 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.1 | -44.3 | 175.8 | -70.5 | 176 | -177.1 | 0 | 0 | 112.3 | K873 W875 I879 S880 L881 | K873-E877 PolarHBondContact O-N 3.17Å; W875-E877 PolarHBondContact O-N 2.88Å; E877-I879 VanDerWaalsContact C-N 3.32Å; E877-I879 PolarHBondContact O-N 3.31Å; E877-S880 PolarHBondContact O-N 3.22Å; E877-L881 WeakPolarHBondContact O-CB 3.48Å; E877-L881 PolarHBondContact O-N 3.46Å |
| 878 | S | 86.7 | Confident | 79.5 | Confident | 52 Ų | 52 | 96 Ų | 96 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -37.5 | 177.4 | -169.6 | 0 | 0 | 0 | 0 | 112.9 | A874 W875 K882 | A874-S878 WeakPolarHBondContact O-CB 3.41Å; A874-S878 PolarHBondContact O-N 2.91Å; W875-S878 PolarHBondContact O-N 3.49Å; S878-K882 VanDerWaalsContact O-CG 3.28Å; S878-K882 WeakPolarHBondContact O-CG 3.44Å; S878-K882 PolarHBondContact O-N 2.99Å; S878-K882 VanDerWaalsContact O-N 3.17Å |
| 879 | I | 80 | Confident | 78.5 | Confident | 56 Ų | 56 | 101.7 Ų | 101.7 | 29% | 0.287 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.6 | -44.9 | 176 | -75.9 | 179.5 | 0 | 0 | 0 | 111.2 | W875 K876 E877 L881 K882 L883 | W875-I879 HydrophobicContact CD2-CD1 3.77Å; W875-I879 VanDerWaalsContact CE2-CD1 3.41Å; W875-I879 HydrophobicContact CE3-CD1 3.94Å; W875-I879 HydrophobicContact CH2-CD1 3.5Å; W875-I879 VanDerWaalsContact CH2-CD1 3.5Å; W875-I879 HydrophobicContact CZ2-CD1 3.3Å; W875-I879 HydrophobicContact CZ3-CD1 3.81Å; W875-I879 PolarHBondContact O-N 3.32Å; K876-I879 PolarHBondContact O-N 2.96Å; E877-I879 VanDerWaalsContact C-N 3.32Å; E877-I879 PolarHBondContact O-N 3.31Å; I879-L881 VanDerWaalsContact C-N 3.32Å; I879-L881 PolarHBondContact O-N 3.29Å; I879-K882 PolarHBondContact O-N 3.35Å; I879-K882 VanDerWaalsContact O-N 3.09Å; I879-L883 HydrophobicContact CG2-CD1 3.75Å; I879-L883 HydrophobicContact CG2-CG 4.45Å; I879-L883 PolarHBondContact O-N 3.38Å |
| 880 | S | 77.9 | Confident | 77.4 | Confident | 67 Ų | 67 | 102.1 Ų | 102.1 | 47% | 0.469 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -55.3 | -48.6 | 175.9 | -171.3 | 0 | 0 | 0 | 0 | 110.9 | K876 E877 K882 L883 T884 | K876-S880 WeakPolarHBondContact O-CB 3.44Å; K876-S880 PolarHBondContact O-N 2.82Å; E877-S880 PolarHBondContact O-N 3.22Å; S880-K882 VanDerWaalsContact C-N 3.33Å; S880-K882 PolarHBondContact O-N 2.89Å; S880-L883 PolarHBondContact O-N 3.38Å; S880-T884 PolarHBondContact O-N 3Å; S880-T884 PolarHBondContact O-OG1 3.21Å |
| 881 | L | 83.9 | Confident | 75.5 | Confident | 115 Ų | 115 | 100.5 Ų | 100.5 | 60% | 0.602 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61 | -37.4 | 176.6 | -165.4 | 75.2 | 0 | 0 | 0 | 113 | E877 I879 N885 | E877-L881 WeakPolarHBondContact O-CB 3.48Å; E877-L881 PolarHBondContact O-N 3.46Å; I879-L881 VanDerWaalsContact C-N 3.32Å; I879-L881 PolarHBondContact O-N 3.29Å; L881-N885 WeakPolarHBondContact O-CB 3.37Å; L881-N885 VanDerWaalsContact O-CG 3.31Å; L881-N885 PolarHBondContact O-N 3.21Å; L881-N885 PolarHBondContact O-ND2 3.19Å |
| 882 | K | 78.3 | Confident | 73.5 | Confident | 136 Ų | 136 | 101 Ų | 101 | 59% | 0.591 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.2 | -42.1 | 175.9 | -76.2 | 167.9 | -175.3 | 168 | 0 | 112 | S878 I879 S880 S886 | S878-K882 VanDerWaalsContact O-CG 3.28Å; S878-K882 WeakPolarHBondContact O-CG 3.44Å; S878-K882 PolarHBondContact O-N 2.99Å; S878-K882 VanDerWaalsContact O-N 3.17Å; I879-K882 PolarHBondContact O-N 3.35Å; I879-K882 VanDerWaalsContact O-N 3.09Å; S880-K882 VanDerWaalsContact C-N 3.33Å; S880-K882 PolarHBondContact O-N 2.89Å; K882-S886 WeakPolarHBondContact O-CB 3.11Å; K882-S886 PolarHBondContact O-N 3.21Å |
| 883 | L | 75.4 | Confident | 72.2 | Confident | 104 Ų | 104 | 105.3 Ų | 105.3 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.1 | -49.6 | 176 | -77.7 | 162.1 | 0 | 0 | 0 | 111 | I879 S880 N885 S886 I887 | I879-L883 HydrophobicContact CG2-CD1 3.75Å; I879-L883 HydrophobicContact CG2-CG 4.45Å; I879-L883 PolarHBondContact O-N 3.38Å; S880-L883 PolarHBondContact O-N 3.38Å; L883-N885 VanDerWaalsContact C-N 3.35Å; L883-N885 PolarHBondContact O-N 3.04Å; L883-S886 WeakPolarHBondContact O-CB 3.27Å; L883-S886 PolarHBondContact O-N 3.46Å; L883-I887 WeakPolarHBondContact O-CG1 3.32Å; L883-I887 PolarHBondContact O-N 3.5Å |
| 884 | T | 78.4 | Confident | 70.3 | Confident | 79 Ų | 79 | 102.7 Ų | 102.7 | 49% | 0.485 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.5 | -45.9 | 176.8 | -51.8 | 0 | 0 | 0 | 0 | 111.7 | S880 S886 I887 Y888 | S880-T884 PolarHBondContact O-N 3Å; S880-T884 PolarHBondContact O-OG1 3.21Å; T884-S886 VanDerWaalsContact C-N 3.32Å; T884-S886 PolarHBondContact O-N 3.49Å; T884-I887 PolarHBondContact O-N 3.05Å; T884-Y888 WeakPolarHBondContact O-CB 3.2Å; T884-Y888 PolarHBondContact O-N 2.83Å |
| 885 | N | 78.1 | Confident | 68.2 | Low | 88 Ų | 88 | 104 Ų | 104 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.7 | -31.3 | 176.2 | -77.9 | -48.4 | 0 | 0 | 0 | 113.4 | L881 L883 K889 | L881-N885 WeakPolarHBondContact O-CB 3.37Å; L881-N885 VanDerWaalsContact O-CG 3.31Å; L881-N885 PolarHBondContact O-N 3.21Å; L881-N885 PolarHBondContact O-ND2 3.19Å; L883-N885 VanDerWaalsContact C-N 3.35Å; L883-N885 PolarHBondContact O-N 3.04Å; N885-K889 WeakPolarHBondContact O-CG 3.29Å; N885-K889 PolarHBondContact O-N 2.95Å; N885-K889 VanDerWaalsContact O-N 3.16Å |
| 886 | S | 65.8 | Low | 66.1 | Low | 70 Ų | 70 | 102.5 Ų | 102.5 | 49% | 0.49 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.7 | -45.7 | 174.9 | -163.3 | 0 | 0 | 0 | 0 | 111.1 | K882 L883 T884 Y888 K889 S890 | K882-S886 WeakPolarHBondContact O-CB 3.11Å; K882-S886 PolarHBondContact O-N 3.21Å; L883-S886 WeakPolarHBondContact O-CB 3.27Å; L883-S886 PolarHBondContact O-N 3.46Å; T884-S886 VanDerWaalsContact C-N 3.32Å; T884-S886 PolarHBondContact O-N 3.49Å; S886-Y888 VanDerWaalsContact C-N 3.35Å; S886-Y888 PolarHBondContact O-N 3.35Å; S886-K889 PolarHBondContact O-N 2.75Å; S886-S890 PolarHBondContact O-N 2.98Å; S886-S890 PolarHBondContact O-OG 2.78Å |
| 887 | I | 69.2 | Low | 64 | Low | 101 Ų | 101 | 105.2 Ų | 105.2 | 52% | 0.518 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 175.4 | -66.9 | 164.4 | 0 | 0 | 0 | 110.3 | L883 T884 K889 S890 I891 | L883-I887 WeakPolarHBondContact O-CG1 3.32Å; L883-I887 PolarHBondContact O-N 3.5Å; T884-I887 PolarHBondContact O-N 3.05Å; I887-K889 PolarHBondContact O-N 2.75Å; I887-S890 PolarHBondContact O-N 3.45Å; I887-I891 HydrophobicContact CG2-CD1 3.81Å; I887-I891 WeakPolarHBondContact O-CG1 3.3Å; I887-I891 PolarHBondContact O-N 2.86Å |
| 888 | Y | 59.8 | Low | 61.7 | Low | 170 Ų | 170 | 102.6 Ų | 102.6 | 67% | 0.667 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.4 | -42.3 | 179.6 | -148.7 | -83.5 | 0 | 0 | 0 | 112.3 | T884 S886 I891 E892 | T884-Y888 WeakPolarHBondContact O-CB 3.2Å; T884-Y888 PolarHBondContact O-N 2.83Å; S886-Y888 VanDerWaalsContact C-N 3.35Å; S886-Y888 PolarHBondContact O-N 3.35Å; Y888-I891 PolarHBondContact O-N 3.41Å; Y888-E892 WeakPolarHBondContact O-CB 3.28Å; Y888-E892 PolarHBondContact O-N 3.19Å |
| 889 | K | 59.3 | Low | 59.5 | Low | 140 Ų | 140 | 107.6 Ų | 107.6 | 61% | 0.609 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.8 | -40.7 | 173.8 | -77.7 | 178.3 | 177.8 | -178.6 | 0 | 112.9 | N885 S886 I887 I891 E892 F893 | N885-K889 WeakPolarHBondContact O-CG 3.29Å; N885-K889 PolarHBondContact O-N 2.95Å; N885-K889 VanDerWaalsContact O-N 3.16Å; S886-K889 PolarHBondContact O-N 2.75Å; I887-K889 PolarHBondContact O-N 2.75Å; K889-I891 VanDerWaalsContact C-N 3.32Å; K889-I891 PolarHBondContact O-N 3.27Å; K889-E892 PolarHBondContact O-N 3.39Å; K889-F893 WeakPolarHBondContact O-CD2 3.37Å; K889-F893 PolarHBondContact O-N 3.09Å |
| 890 | S | 57.3 | Low | 58 | Low | 80 Ų | 80 | 108.8 Ų | 108.8 | 56% | 0.559 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.4 | -38.8 | 176.2 | -63.6 | 0 | 0 | 0 | 0 | 112 | S886 I887 F893 S894 | S886-S890 PolarHBondContact O-N 2.98Å; S886-S890 PolarHBondContact O-OG 2.78Å; I887-S890 PolarHBondContact O-N 3.45Å; S890-F893 PolarHBondContact O-N 2.99Å; S890-S894 PolarHBondContact O-N 3.48Å |
| 891 | I | 48.2 | Very low | 56.3 | Low | 99 Ų | 99 | 109 Ų | 109 | 51% | 0.508 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.9 | -45.1 | 176.2 | -65.4 | 167.2 | 0 | 0 | 0 | 110.7 | I887 Y888 K889 F893 S894 S895 | I887-I891 HydrophobicContact CG2-CD1 3.81Å; I887-I891 WeakPolarHBondContact O-CG1 3.3Å; I887-I891 PolarHBondContact O-N 2.86Å; Y888-I891 PolarHBondContact O-N 3.41Å; K889-I891 VanDerWaalsContact C-N 3.32Å; K889-I891 PolarHBondContact O-N 3.27Å; I891-F893 VanDerWaalsContact C-N 3.27Å; I891-F893 PolarHBondContact O-N 3.14Å; I891-S894 WeakPolarHBondContact CA-OG 3.38Å; I891-S894 PolarHBondContact O-N 3.47Å; I891-S894 PolarHBondContact O-OG 3.28Å; I891-S895 PolarHBondContact O-N 3.23Å; I891-S895 PolarHBondContact O-OG 3.18Å |
| 892 | E | 43.2 | Very low | 54.4 | Low | 114 Ų | 114 | 107.7 Ų | 107.7 | 53% | 0.533 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.6 | -33.6 | 177.1 | -167.7 | 179 | -164.4 | 0 | 0 | 112.4 | Y888 K889 S895 N896 | Y888-E892 WeakPolarHBondContact O-CB 3.28Å; Y888-E892 PolarHBondContact O-N 3.19Å; K889-E892 PolarHBondContact O-N 3.39Å; E892-S895 PolarHBondContact O-OG 2.65Å; E892-N896 PolarHBondContact O-ND2 3.32Å |
| 893 | F | 49.4 | Very low | 52.7 | Low | 164 Ų | 164 | 107.5 Ų | 107.5 | 72% | 0.719 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.5 | -39.5 | 170.6 | -98.8 | -84.6 | 0 | 0 | 0 | 113 | K889 S890 I891 | K889-F893 WeakPolarHBondContact O-CD2 3.37Å; K889-F893 PolarHBondContact O-N 3.09Å; S890-F893 PolarHBondContact O-N 2.99Å; I891-F893 VanDerWaalsContact C-N 3.27Å; I891-F893 PolarHBondContact O-N 3.14Å |
| 894 | S | 43.2 | Very low | 51.4 | Low | 76 Ų | 76 | 108 Ų | 108 | 53% | 0.531 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.7 | -32.3 | 177.5 | 64.8 | 0 | 0 | 0 | 0 | 113.8 | S890 I891 N896 | S890-S894 PolarHBondContact O-N 3.48Å; I891-S894 WeakPolarHBondContact CA-OG 3.38Å; I891-S894 PolarHBondContact O-N 3.47Å; I891-S894 PolarHBondContact O-OG 3.28Å; S894-N896 VanDerWaalsContact C-N 3.27Å; S894-N896 PolarHBondContact O-N 2.86Å |
| 895 | S | 42.9 | Very low | 49.8 | Very low | 84 Ų | 84 | 109.5 Ų | 109.5 | 59% | 0.587 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -10.1 | -177.7 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | I891 E892 | I891-S895 PolarHBondContact O-N 3.23Å; I891-S895 PolarHBondContact O-OG 3.18Å; E892-S895 PolarHBondContact O-OG 2.65Å |
| 896 | N | 43.7 | Very low | 47.8 | Very low | 116 Ų | 116 | 113.7 Ų | 113.7 | 62% | 0.62 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 0.4 | -178.9 | -86.1 | -63.8 | 0 | 0 | 0 | 114.4 | E892 S894 T898 | E892-N896 PolarHBondContact O-ND2 3.32Å; S894-N896 VanDerWaalsContact C-N 3.27Å; S894-N896 PolarHBondContact O-N 2.86Å; N896-T898 PolarHBondContact O-N 2.84Å; N896-T898 VanDerWaalsContact O-N 3.11Å |
| 897 | Y | 36.8 | Very low | 46.8 | Very low | 158 Ų | 158 | 116.8 Ų | 116.8 | 62% | 0.62 | 58% | 0.58 | S | S | * | * | trans | -77.4 | 93 | 166.1 | -75.4 | -78.5 | 0 | 0 | 0 | 109.9 | ||||
| 898 | T | 38.7 | Very low | 45.5 | Very low | 86 Ų | 86 | 117.9 Ų | 117.9 | 53% | 0.528 | 59% | 0.587 | S | S | . | * | trans | -61.2 | 136.6 | 167.6 | 36.9 | 0 | 0 | 0 | 0 | 110 | N896 T900 D901 | N896-T898 PolarHBondContact O-N 2.84Å; N896-T898 VanDerWaalsContact O-N 3.11Å; T898-T900 PolarHBondContact O-N 2.88Å; T898-T900 PolarHBondContact OG1-OG1 3.1Å; T898-D901 PolarHBondContact O-N 3.42Å | ||
| 899 | Q | 40.8 | Very low | 44.3 | Very low | 156 Ų | 156 | 116.2 Ų | 116.2 | 73% | 0.729 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -45.6 | -26.3 | -174.7 | -165.9 | 85.4 | 14.2 | 0 | 0 | 115.1 | ||
| 900 | T | 47.4 | Very low | 43.2 | Very low | 81 Ų | 81 | 119.1 Ų | 119.1 | 50% | 0.497 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -58.7 | -44.7 | 175.3 | 42.7 | 0 | 0 | 0 | 0 | 113.3 | T898 I902 Q903 D904 | T898-T900 PolarHBondContact O-N 2.88Å; T898-T900 PolarHBondContact OG1-OG1 3.1Å; T900-I902 PolarHBondContact O-N 3.11Å; T900-Q903 PolarHBondContact O-N 2.92Å; T900-D904 PolarHBondContact O-N 3.26Å |
| 901 | D | 43.6 | Very low | 42.3 | Very low | 73 Ų | 73 | 121.9 Ų | 121.9 | 39% | 0.39 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -71 | -25.2 | -168.5 | -57.7 | 12.9 | 0 | 0 | 0 | 111.2 | T898 I905 | T898-D901 PolarHBondContact O-N 3.42Å; D901-I905 WeakPolarHBondContact O-CD1 3.41Å; D901-I905 WeakPolarHBondContact O-CG1 3.24Å |
| 902 | I | 43.1 | Very low | 41.8 | Very low | 86 Ų | 86 | 125 Ų | 125 | 44% | 0.441 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -76.4 | -31.4 | 173.9 | -61.3 | 175.9 | 0 | 0 | 0 | 110.8 | T900 Y906 | T900-I902 PolarHBondContact O-N 3.11Å; I902-Y906 HydrophobicContact CG2-CD2 4.22Å; I902-Y906 HydrophobicContact CG2-CE2 4.31Å; I902-Y906 WeakPolarHBondContact O-CD2 3.29Å |
| 903 | Q | 42.8 | Very low | 41.3 | Very low | 133 Ų | 133 | 126.1 Ų | 126.1 | 62% | 0.621 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -73 | -37.7 | 179.7 | -70.9 | -165 | -37.5 | 0 | 0 | 112.7 | T900 Y906 H907 | T900-Q903 PolarHBondContact O-N 2.92Å; Q903-Y906 PolarHBondContact O-N 3.46Å; Q903-H907 PolarHBondContact O-N 3.46Å |
| 904 | D | 47.8 | Very low | 40.6 | Very low | 115 Ų | 115 | 122.8 Ų | 122.8 | 62% | 0.615 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.9 | -41.4 | -180 | -70.3 | -15.4 | 0 | 0 | 0 | 111.8 | T900 Y906 H907 D908 | T900-D904 PolarHBondContact O-N 3.26Å; D904-Y906 VanDerWaalsContact C-N 3.28Å; D904-Y906 PolarHBondContact O-N 3.27Å; D904-H907 PolarHBondContact O-N 3.22Å; D904-D908 PolarHBondContact O-N 2.62Å |
| 905 | I | 44.7 | Very low | 40.3 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 56% | 0.559 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -61.3 | -35.8 | 177.5 | -65.2 | 170.9 | 0 | 0 | 0 | 112 | D901 H907 | D901-I905 WeakPolarHBondContact O-CD1 3.41Å; D901-I905 WeakPolarHBondContact O-CG1 3.24Å; I905-H907 VanDerWaalsContact C-N 3.29Å; I905-H907 PolarHBondContact O-N 3.42Å |
| 906 | Y | 36.5 | Very low | 39.7 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 69% | 0.69 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.4 | -16.4 | 176 | -92.3 | -74.3 | 0 | 0 | 0 | 113.8 | I902 Q903 D904 | I902-Y906 HydrophobicContact CG2-CD2 4.22Å; I902-Y906 HydrophobicContact CG2-CE2 4.31Å; I902-Y906 WeakPolarHBondContact O-CD2 3.29Å; Q903-Y906 PolarHBondContact O-N 3.46Å; D904-Y906 VanDerWaalsContact C-N 3.28Å; D904-Y906 PolarHBondContact O-N 3.27Å |
| 907 | H | 44 | Very low | 39 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 63% | 0.63 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -90.3 | -36.5 | -177 | -137.9 | -50.9 | 0 | 0 | 0 | 113.4 | Q903 D904 I905 | Q903-H907 PolarHBondContact O-N 3.46Å; D904-H907 PolarHBondContact O-N 3.22Å; I905-H907 VanDerWaalsContact C-N 3.29Å; I905-H907 PolarHBondContact O-N 3.42Å |
| 908 | D | 42.6 | Very low | 38.6 | Very low | 124 Ų | 124 | 128 Ų | 128 | 66% | 0.663 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.3 | -45.2 | 178.3 | -87.5 | -8.8 | 0 | 0 | 0 | 112.3 | D904 R910 Q911 | D904-D908 PolarHBondContact O-N 2.62Å; D908-R910 PolarHBondContact O-N 3.27Å; D908-Q911 PolarHBondContact O-N 3.37Å; D908-Q911 VanDerWaalsContact O-N 3.08Å |
| 909 | Q | 35.2 | Very low | 38.1 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 63% | 0.631 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -62.5 | -16.5 | -178.5 | -69.9 | -167.7 | -10 | 0 | 0 | 114 | ||
| 910 | R | 35.6 | Very low | 37.4 | Very low | 201 Ų | 201 | 132 Ų | 132 | 76% | 0.758 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -83.8 | -20.1 | 176.9 | -106.5 | -174 | -176.3 | -102.1 | 1.8 | 114.5 | D908 | D908-R910 PolarHBondContact O-N 3.27Å |
| 911 | Q | 38.8 | Very low | 36.2 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 65% | 0.645 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -83.6 | -41.3 | 178.9 | -78.1 | -171.1 | -25.5 | 0 | 0 | 112.4 | D908 L913 T914 | D908-Q911 PolarHBondContact O-N 3.37Å; D908-Q911 VanDerWaalsContact O-N 3.08Å; Q911-L913 VanDerWaalsContact C-N 3.27Å; Q911-L913 PolarHBondContact O-N 2.91Å; Q911-T914 PolarHBondContact O-N 3.47Å; Q911-T914 VanDerWaalsContact O-N 3.17Å; Q911-T914 PolarHBondContact O-OG1 3.1Å |
| 912 | E | 37.5 | Very low | 35.4 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -62.2 | -30 | -179.1 | -105.9 | -174.4 | 158.9 | 0 | 0 | 114 | T914 | E912-T914 VanDerWaalsContact C-N 3.34Å; E912-T914 PolarHBondContact O-N 3.34Å |
| 913 | L | 33.1 | Very low | 34.9 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 73% | 0.728 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -78.7 | -11.7 | 179.7 | -87.6 | 159.3 | 0 | 0 | 0 | 114.5 | Q911 | Q911-L913 VanDerWaalsContact C-N 3.27Å; Q911-L913 PolarHBondContact O-N 2.91Å |
| 914 | T | 33.8 | Very low | 34.2 | Very low | 93 Ų | 93 | 145.2 Ų | 145.2 | 57% | 0.571 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -97.6 | -18.7 | -175.7 | 45.1 | 0 | 0 | 0 | 0 | 115.9 | Q911 E912 | Q911-T914 PolarHBondContact O-N 3.47Å; Q911-T914 VanDerWaalsContact O-N 3.17Å; Q911-T914 PolarHBondContact O-OG1 3.1Å; E912-T914 VanDerWaalsContact C-N 3.34Å; E912-T914 PolarHBondContact O-N 3.34Å |
| 915 | E | 36.4 | Very low | 33.1 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -89.5 | -21.7 | -176.5 | -65.7 | -162.5 | 145.7 | 0 | 0 | 114.3 | ||
| 916 | N | 31.9 | Very low | 32.3 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 7.6 | -169.1 | -78.6 | -37.8 | 0 | 0 | 0 | 116.6 | ||
| 917 | T | 27.9 | Very low | 31.7 | Very low | 117 Ų | 117 | 147.4 Ų | 147.4 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | 7 | -173.8 | 42 | 0 | 0 | 0 | 0 | 116.1 | ||
| 918 | V | 28.6 | Very low | 31 | Very low | 113 Ų | 113 | 148.1 Ų | 148.1 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -88.7 | -16.8 | -172.9 | 176.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 919 | N | 27.5 | Very low | 30.3 | Very low | 152 Ų | 152 | 147.2 Ų | 147.2 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -121.6 | 78.4 | -173.9 | -71.9 | -44.8 | 0 | 0 | 0 | 113.5 | ||
| 920 | L | 25.9 | Very low | 30 | Very low | 173 Ų | 173 | 148 Ų | 148 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | trans | -174.7 | 66.9 | 153.8 | -102.9 | 157 | 0 | 0 | 0 | 110.7 | ||||
| 921 | L | 23.1 | Very low | 29.7 | Very low | 168 Ų | 168 | 146.1 Ų | 146.1 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | trans | -132.6 | 105.7 | 169.5 | -81.5 | 169.8 | 0 | 0 | 0 | 109.2 | ||||
| 922 | D | 26.5 | Very low | 29.2 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -143.3 | 111 | 155.2 | -126.9 | -17.1 | 0 | 0 | 0 | 107.3 | ||||
| 923 | P | 33.6 | Very low | 28.8 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | trans | -86 | 146.7 | -168 | 33.7 | -34.4 | 0 | 0 | 0 | 111.7 | ||||
| 924 | K | 28.2 | Very low | 28.4 | Very low | 210 Ų | 210 | 141.5 Ų | 141.5 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | trans | -128.9 | 121.1 | 161.1 | -73.8 | -164.6 | 174.3 | -175.6 | 0 | 111 | ||||
| 925 | E | 24.9 | Very low | 28.2 | Very low | 188 Ų | 188 | 143.3 Ų | 143.3 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | -74.4 | 141.1 | 179.6 | -55.3 | 156.4 | 138.6 | 0 | 0 | 110.5 | ||||
| 926 | S | 26.6 | Very low | 27.8 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | 179.1 | 98.9 | 133.2 | 60.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 927 | D | 25.3 | Very low | 27.6 | Very low | 150 Ų | 150 | 145.7 Ų | 145.7 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | 38.7 | 141.6 | 131.9 | -53.8 | -24.4 | 0 | 0 | 0 | 123.8 | ||||
| 928 | D | 27.6 | Very low | 27.6 | Very low | 151 Ų | 151 | 144.7 Ų | 144.7 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | trans | 80 | 101.5 | 146.5 | -70.2 | -17 | 0 | 0 | 0 | 122.5 | ||||
| 929 | S | 28.1 | Very low | 27.6 | Very low | 105 Ų | 105 | 145.6 Ų | 145.6 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | 115.6 | 116.3 | 119 | 73.7 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 930 | N | 28.5 | Very low | 27.6 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | 48.2 | 103 | 145.3 | -59.8 | -13 | 0 | 0 | 0 | 120 | ||||
| 931 | D | 30.4 | Very low | 27.4 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | -148.4 | 101.1 | 123.6 | -118 | -25.6 | 0 | 0 | 0 | 111.3 | |||||
| 932 | S | 29 | Very low | 27.6 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -106.6 | 83.9 | -174.6 | 61.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 933 | S | 28.2 | Very low | 27.5 | Very low | 98 Ų | 98 | 146.4 Ų | 146.4 | 69% | 0.685 | 81% | 0.809 | S | S | * | * | trans | -135 | -5.7 | -179.8 | 56.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 934 | C | 24.9 | Very low | 27.1 | Very low | 124 Ų | 124 | 150 Ų | 150 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -113.7 | 13.4 | -171 | -73.9 | 0 | 0 | 0 | 0 | 117.2 | ||
| 935 | V | 28.9 | Very low | 27 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -117.4 | -5.4 | -175.1 | -174.1 | 0 | 0 | 0 | 0 | 114.3 | L937 | V935-L937 PolarHBondContact O-N 3.45Š|
| 936 | Q | 28.8 | Very low | 26.9 | Very low | 188 Ų | 188 | 147 Ų | 147 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 23.6 | -167.9 | -134.4 | 168.4 | 3.5 | 0 | 0 | 116.3 | ||
| 937 | L | 26.9 | Very low | 26.8 | Very low | 177 Ų | 177 | 150.4 Ų | 150.4 | 93% | 0.927 | 82% | 0.817 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.5 | 1.4 | 178.2 | -80.2 | 173.2 | 0 | 0 | 0 | 115.7 | V935 | V935-L937 PolarHBondContact O-N 3.45Š|
| 938 | S | 28.3 | Very low | 26.8 | Very low | 95 Ų | 95 | 150.7 Ų | 150.7 | 66% | 0.664 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -97 | -15.5 | -176.3 | -165.5 | 0 | 0 | 0 | 0 | 116.2 | ||
| 939 | N | 29 | Very low | 26.6 | Very low | 132 Ų | 132 | 150.2 Ų | 150.2 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -118.1 | 2.7 | -163.2 | -74.7 | -2.1 | 0 | 0 | 0 | 116.6 | ||
| 940 | N | 26.8 | Very low | 26.4 | Very low | 162 Ų | 162 | 153.1 Ų | 153.1 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 22.2 | -178 | -81.5 | 0.6 | 0 | 0 | 0 | 114.9 | ||
| 941 | M | 22.6 | Very low | 26.1 | Very low | 184 Ų | 184 | 151.7 Ų | 151.7 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.2 | 19.5 | -177.7 | -77.1 | -82.4 | -87.3 | 0 | 0 | 114 | ||
| 942 | I | 26.8 | Very low | 25.6 | Very low | 150 Ų | 150 | 149.9 Ų | 149.9 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -116.7 | -14.3 | -179.7 | -66.3 | -179 | 0 | 0 | 0 | 113.5 | ||
| 943 | E | 23.9 | Very low | 25.3 | Very low | 178 Ų | 178 | 153.5 Ų | 153.5 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -114.8 | 90.1 | 176.3 | -70.9 | -171.4 | 170.6 | 0 | 0 | 112.6 | ||
| 944 | Q | 25.5 | Very low | 25 | Very low | 185 Ų | 185 | 156.5 Ų | 156.5 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | S | Bend | trans | 164.6 | 87 | 138.3 | -92.1 | 172 | 46.5 | 0 | 0 | 110.4 | ||
| 945 | N | 25.7 | Very low | 24.9 | Very low | 164 Ų | 164 | 157.9 Ų | 157.9 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | trans | -170.4 | 49.7 | 148.9 | -94.4 | -33.4 | 0 | 0 | 0 | 111 | M947 | N945-M947 PolarHBondContact O-N 3.28Š| ||
| 946 | H | 23.9 | Very low | 24.8 | Very low | 172 Ų | 172 | 155.9 Ų | 155.9 | 80% | 0.796 | 81% | 0.811 | S | S | * | * | trans | -81.1 | 95.8 | 160.8 | -87.4 | -85.5 | 0 | 0 | 0 | 108.7 | ||||
| 947 | M | 23.5 | Very low | 24.5 | Very low | 179 Ų | 179 | 154 Ų | 154 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | trans | -125.5 | 100.8 | 159.7 | -78.6 | -69 | -83 | 0 | 0 | 107.4 | N945 | N945-M947 PolarHBondContact O-N 3.28Š| ||
| 948 | E | 24.9 | Very low | 24.4 | Very low | 155 Ų | 155 | 153.3 Ų | 153.3 | 72% | 0.724 | 81% | 0.805 | S | S | * | * | trans | -76.9 | 145.1 | -169.6 | -62.4 | 172.6 | 143.3 | 0 | 0 | 112.7 | N950 | E948-N950 PolarHBondContact O-N 2.88Š| ||
| 949 | D | 24.6 | Very low | 24.2 | Very low | 142 Ų | 142 | 157.6 Ų | 157.6 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | trans | 43.1 | 70.6 | 142.1 | -64.1 | -9.7 | 0 | 0 | 0 | 119.4 | ||||
| 950 | N | 23.4 | Very low | 23.9 | Very low | 166 Ų | 166 | 159.3 Ų | 159.3 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | trans | -98.3 | 94.7 | 148.2 | -93 | -51.9 | 0 | 0 | 0 | 110.9 | E948 C952 | E948-N950 PolarHBondContact O-N 2.88Å; N950-C952 VanDerWaalsContact C-N 3.32Å; N950-C952 PolarHBondContact O-N 2.97Å | ||
| 951 | T | 22.6 | Very low | 23.7 | Very low | 120 Ų | 120 | 159 Ų | 159 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | trans | -66.5 | 75.1 | -176.7 | 44.9 | 0 | 0 | 0 | 0 | 113.5 | K953 | T951-K953 PolarHBondContact O-N 2.97Å; T951-K953 VanDerWaalsContact O-N 3.13Å | ||
| 952 | C | 19.1 | Very low | 23.7 | Very low | 124 Ų | 124 | 155.5 Ų | 155.5 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | -74.3 | 106.1 | 173.3 | -142.3 | 0 | 0 | 0 | 0 | 110.2 | N950 I954 | N950-C952 VanDerWaalsContact C-N 3.32Å; N950-C952 PolarHBondContact O-N 2.97Å; C952-I954 PolarHBondContact O-N 3.2Å | ||
| 953 | K | 23.5 | Very low | 23.5 | Very low | 196 Ų | 196 | 155.7 Ų | 155.7 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | trans | -58.1 | 123.1 | -174.1 | -70.5 | 169.2 | 178.9 | 169.8 | 0 | 111.5 | T951 N955 | T951-K953 PolarHBondContact O-N 2.97Å; T951-K953 VanDerWaalsContact O-N 3.13Å; K953-N955 PolarHBondContact O-N 2.8Å | ||
| 954 | I | 21.5 | Very low | 23.4 | Very low | 162 Ų | 162 | 153.5 Ų | 153.5 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | -58.4 | 103.9 | 169.3 | -61.3 | 165.4 | 0 | 0 | 0 | 108.2 | C952 S956 | C952-I954 PolarHBondContact O-N 3.2Å; I954-S956 PolarHBondContact O-N 3.23Å | ||
| 955 | N | 23.3 | Very low | 23.3 | Very low | 152 Ų | 152 | 150.4 Ų | 150.4 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -86.5 | 107.7 | 167.2 | -163.4 | 10.3 | 0 | 0 | 0 | 107.4 | K953 N957 | K953-N955 PolarHBondContact O-N 2.8Å; N955-N957 PolarHBondContact O-N 3.33Å | ||
| 956 | S | 25.3 | Very low | 23.2 | Very low | 90 Ų | 90 | 150.3 Ų | 150.3 | 63% | 0.629 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -66.8 | 100.5 | -178.5 | 52.8 | 0 | 0 | 0 | 0 | 110.7 | I954 | I954-S956 PolarHBondContact O-N 3.23Š|
| 957 | N | 23.8 | Very low | 23.2 | Very low | 148 Ų | 148 | 150.3 Ų | 150.3 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 178.4 | 127.1 | 145.9 | -85.7 | -24.8 | 0 | 0 | 0 | 108.2 | N955 | N955-N957 PolarHBondContact O-N 3.33Š|
| 958 | N | 23.8 | Very low | 23.3 | Very low | 164 Ų | 164 | 148.4 Ų | 148.4 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | 96.1 | 75.1 | -175.4 | -54.8 | -14.8 | 0 | 0 | 0 | 115.7 | ||||
| 959 | H | 23.9 | Very low | 23.2 | Very low | 184 Ų | 184 | 144.2 Ų | 144.2 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | -131.5 | 97 | 159.5 | -110.6 | -70.8 | 0 | 0 | 0 | 109.7 | ||||
| 960 | L | 23.5 | Very low | 23.3 | Very low | 169 Ų | 169 | 144.8 Ų | 144.8 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | trans | -166.4 | 41.7 | 156.8 | -108.6 | 161.3 | 0 | 0 | 0 | 111.7 | ||||
| 961 | L | 22.3 | Very low | 23.5 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -106.9 | 99.6 | 153.7 | -97.7 | 84.7 | 0 | 0 | 0 | 109.2 | N963 | L961-N963 PolarHBondContact O-N 3.27Å; L961-N963 VanDerWaalsContact O-N 3.13Å |
| 962 | T | 23.2 | Very low | 23.8 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | 19.8 | 80.7 | 127.4 | 55.1 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 963 | N | 22.6 | Very low | 24.4 | Very low | 154 Ų | 154 | 145.4 Ų | 145.4 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -87.9 | 96.7 | 146.6 | -95.3 | -12.8 | 0 | 0 | 0 | 108 | L961 V965 | L961-N963 PolarHBondContact O-N 3.27Å; L961-N963 VanDerWaalsContact O-N 3.13Å; N963-V965 PolarHBondContact O-N 3.15Å | ||
| 964 | T | 22.2 | Very low | 24.7 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -66.9 | 80.3 | 166.5 | 42.6 | 0 | 0 | 0 | 0 | 109.5 | Q966 | T964-Q966 PolarHBondContact O-N 2.96Š| ||
| 965 | V | 23 | Very low | 25 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | trans | -65 | 124.4 | 166.4 | 177 | 0 | 0 | 0 | 0 | 107.7 | N963 L967 | N963-V965 PolarHBondContact O-N 3.15Å; V965-L967 PolarHBondContact O-N 3.38Å | ||
| 966 | Q | 23.6 | Very low | 25.3 | Very low | 162 Ų | 162 | 140.4 Ų | 140.4 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | trans | -59.8 | 105.6 | 178.4 | -68.2 | 169.4 | -48.9 | 0 | 0 | 110.2 | T964 N968 | T964-Q966 PolarHBondContact O-N 2.96Å; Q966-N968 PolarHBondContact O-N 3.03Å | ||
| 967 | L | 23.3 | Very low | 25.5 | Very low | 173 Ų | 173 | 143.9 Ų | 143.9 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | trans | -75.5 | 63.8 | 166.5 | -77.2 | 168.5 | 0 | 0 | 0 | 110.1 | V965 G969 | V965-L967 PolarHBondContact O-N 3.38Å; L967-G969 PolarHBondContact O-N 2.88Å | ||
| 968 | N | 25 | Very low | 25.7 | Very low | 138 Ų | 138 | 139.6 Ų | 139.6 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | trans | -75.6 | 109 | 168 | -80.9 | -17.8 | 0 | 0 | 0 | 108.8 | Q966 | Q966-N968 PolarHBondContact O-N 3.03Š| ||
| 969 | G | 24.6 | Very low | 25.8 | Very low | 67 Ų | 67 | 135.8 Ų | 135.8 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 93.1 | 85.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L967 | L967-G969 PolarHBondContact O-N 2.88Š|
| 970 | I | 25.6 | Very low | 25.9 | Very low | 155 Ų | 155 | 136 Ų | 136 | 80% | 0.795 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -178.6 | 128.4 | 136 | -89.7 | 147.7 | 0 | 0 | 0 | 107 | ||
| 971 | N | 27.3 | Very low | 26 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 50% | 0.503 | 71% | 0.707 | S | S | . | * | trans | 125 | 14.3 | 167 | -67 | -32 | 0 | 0 | 0 | 119.3 | E973 Q974 | N971-E973 PolarHBondContact O-N 3.35Å; N971-E973 VanDerWaalsContact O-N 3.16Å; N971-Q974 HydrophobicContact CB-CB 4.47Å; N971-Q974 PolarHBondContact O-N 2.97Å; N971-Q974 VanDerWaalsContact O-N 3.15Å | ||
| 972 | E | 29.2 | Very low | 26.1 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -58.7 | -24.1 | 164.5 | -76 | -157.7 | 147.9 | 0 | 0 | 113.4 | K976 | E972-K976 PolarHBondContact O-N 3.38Å |
| 973 | E | 31.8 | Very low | 26.3 | Very low | 165 Ų | 165 | 131.6 Ų | 131.6 | 77% | 0.771 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -73.3 | -30 | 175.4 | -68.1 | -161.2 | 131.5 | 0 | 0 | 114.2 | N971 K976 K977 | N971-E973 PolarHBondContact O-N 3.35Å; N971-E973 VanDerWaalsContact O-N 3.16Å; E973-K976 PolarHBondContact O-N 3.3Å; E973-K977 PolarHBondContact O-N 3.4Å |
| 974 | Q | 29.3 | Very low | 26.4 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 62% | 0.621 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -71.2 | -36.2 | 177.5 | -70.3 | -143 | -2.3 | 0 | 0 | 111.8 | N971 K976 K977 S978 | N971-Q974 HydrophobicContact CB-CB 4.47Å; N971-Q974 PolarHBondContact O-N 2.97Å; N971-Q974 VanDerWaalsContact O-N 3.15Å; Q974-K976 VanDerWaalsContact C-N 3.29Å; Q974-K976 PolarHBondContact O-N 3.09Å; Q974-K977 PolarHBondContact O-N 3.06Å; Q974-K977 VanDerWaalsContact O-N 3.15Å; Q974-S978 PolarHBondContact O-N 3.07Å; Q974-S978 PolarHBondContact O-OG 3.12Å |
| 975 | N | 28.3 | Very low | 26.6 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 66% | 0.658 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -70 | -23.2 | 174.3 | -79.9 | -19 | 0 | 0 | 0 | 113.4 | S978 S979 | N975-S978 WeakPolarHBondContact CA-OG 3.46Å; N975-S978 PolarHBondContact O-OG 3.02Å; N975-S979 WeakPolarHBondContact O-CB 3.47Å; N975-S979 PolarHBondContact O-N 3.22Å |
| 976 | K | 30.5 | Very low | 26.6 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 65% | 0.648 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -73.3 | -33.1 | 168.6 | -75.4 | 177.3 | -179.7 | 167.9 | 0 | 112.5 | E972 E973 Q974 Y980 | E972-K976 PolarHBondContact O-N 3.38Å; E973-K976 PolarHBondContact O-N 3.3Å; Q974-K976 VanDerWaalsContact C-N 3.29Å; Q974-K976 PolarHBondContact O-N 3.09Å; K976-Y980 PolarHBondContact O-N 3.27Å |
| 977 | K | 29.9 | Very low | 26.9 | Very low | 164 Ų | 164 | 132.8 Ų | 132.8 | 71% | 0.713 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.5 | -44.5 | 174.3 | -89.5 | -179.4 | 175 | 172.6 | 0 | 113.3 | E973 Q974 S979 Y980 E981 | E973-K977 PolarHBondContact O-N 3.4Å; Q974-K977 PolarHBondContact O-N 3.06Å; Q974-K977 VanDerWaalsContact O-N 3.15Å; K977-S979 VanDerWaalsContact C-N 3.33Å; K977-S979 PolarHBondContact O-N 3.02Å; K977-Y980 PolarHBondContact O-N 3.49Å; K977-Y980 VanDerWaalsContact O-N 3.12Å; K977-E981 PolarHBondContact O-N 2.91Å; K977-E981 VanDerWaalsContact O-N 3.13Å |
| 978 | S | 27.3 | Very low | 27.1 | Very low | 58 Ų | 58 | 132.3 Ų | 132.3 | 41% | 0.406 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -63.7 | -36.7 | 179.2 | 58.2 | 0 | 0 | 0 | 0 | 112.9 | Q974 N975 Y980 E981 L982 | Q974-S978 PolarHBondContact O-N 3.07Å; Q974-S978 PolarHBondContact O-OG 3.12Å; N975-S978 WeakPolarHBondContact CA-OG 3.46Å; N975-S978 PolarHBondContact O-OG 3.02Å; S978-Y980 VanDerWaalsContact C-N 3.33Å; S978-Y980 PolarHBondContact O-N 3.45Å; S978-E981 PolarHBondContact O-N 3.2Å; S978-L982 PolarHBondContact O-N 3.14Å |
| 979 | S | 25.1 | Very low | 27.3 | Very low | 84 Ų | 84 | 129.9 Ų | 129.9 | 59% | 0.587 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -62.6 | -37.5 | 172.5 | -169.8 | 0 | 0 | 0 | 0 | 112.8 | N975 K977 S983 | N975-S979 WeakPolarHBondContact O-CB 3.47Å; N975-S979 PolarHBondContact O-N 3.22Å; K977-S979 VanDerWaalsContact C-N 3.33Å; K977-S979 PolarHBondContact O-N 3.02Å; S979-S983 PolarHBondContact O-N 2.9Å |
| 980 | Y | 26.8 | Very low | 27.5 | Very low | 188 Ų | 188 | 133.1 Ų | 133.1 | 74% | 0.737 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.9 | -24.7 | 178 | -119.8 | -81.1 | 0 | 0 | 0 | 114.3 | K976 K977 S978 S983 | K976-Y980 PolarHBondContact O-N 3.27Å; K977-Y980 PolarHBondContact O-N 3.49Å; K977-Y980 VanDerWaalsContact O-N 3.12Å; S978-Y980 VanDerWaalsContact C-N 3.33Å; S978-Y980 PolarHBondContact O-N 3.45Å; Y980-S983 PolarHBondContact O-OG 3.3Å; Y980-S983 VanDerWaalsContact O-OG 3.1Å |
| 981 | E | 24.7 | Very low | 27.6 | Very low | 152 Ų | 152 | 134.5 Ų | 134.5 | 71% | 0.71 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -80.1 | -34.3 | 173.1 | -68.2 | -157.3 | 152 | 0 | 0 | 112.5 | K977 S978 S983 R984 F985 | K977-E981 PolarHBondContact O-N 2.91Å; K977-E981 VanDerWaalsContact O-N 3.13Å; S978-E981 PolarHBondContact O-N 3.2Å; E981-S983 PolarHBondContact O-N 3.41Å; E981-R984 PolarHBondContact O-N 3.37Å; E981-F985 PolarHBondContact O-N 3.16Å; E981-F985 VanDerWaalsContact O-N 3.11Å |
| 982 | L | 24.1 | Very low | 27.6 | Very low | 127 Ų | 127 | 135 Ų | 135 | 67% | 0.665 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.4 | -39 | 177.9 | -116.3 | 85.9 | 0 | 0 | 0 | 112.9 | S978 F985 N986 | S978-L982 PolarHBondContact O-N 3.14Å; L982-F985 PolarHBondContact O-N 3.08Å; L982-N986 PolarHBondContact O-N 3.44Å |
| 983 | S | 27.7 | Very low | 27.7 | Very low | 64 Ų | 64 | 130.8 Ų | 130.8 | 45% | 0.448 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.1 | -43.3 | 176.6 | 57.8 | 0 | 0 | 0 | 0 | 111.7 | S979 Y980 E981 F985 N986 E987 | S979-S983 PolarHBondContact O-N 2.9Å; Y980-S983 PolarHBondContact O-OG 3.3Å; Y980-S983 VanDerWaalsContact O-OG 3.1Å; E981-S983 PolarHBondContact O-N 3.41Å; S983-F985 VanDerWaalsContact C-N 3.3Å; S983-F985 PolarHBondContact O-N 2.9Å; S983-N986 PolarHBondContact O-N 2.93Å; S983-E987 PolarHBondContact O-N 3.11Å |
| 984 | R | 25.2 | Very low | 27.5 | Very low | 192 Ų | 192 | 128.5 Ų | 128.5 | 73% | 0.725 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.2 | -28.1 | 179.5 | -156 | 176.6 | -164.9 | 173.5 | 5.8 | 113.3 | E981 Y988 | E981-R984 PolarHBondContact O-N 3.37Å; R984-Y988 PolarHBondContact O-N 3.23Å |
| 985 | F | 25.4 | Very low | 27.7 | Very low | 149 Ų | 149 | 124.4 Ų | 124.4 | 65% | 0.654 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70 | -37.6 | 176.5 | -146.6 | -82.9 | 0 | 0 | 0 | 112.1 | E981 L982 S983 Y988 | E981-F985 PolarHBondContact O-N 3.16Å; E981-F985 VanDerWaalsContact O-N 3.11Å; L982-F985 PolarHBondContact O-N 3.08Å; S983-F985 VanDerWaalsContact C-N 3.3Å; S983-F985 PolarHBondContact O-N 2.9Å; F985-Y988 PolarHBondContact O-N 3.31Å |
| 986 | N | 25 | Very low | 28 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 62% | 0.62 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.5 | -43.2 | 178.4 | -74.4 | -23 | 0 | 0 | 0 | 112.4 | L982 S983 Y988 E989 E990 | L982-N986 PolarHBondContact O-N 3.44Å; S983-N986 PolarHBondContact O-N 2.93Å; N986-Y988 PolarHBondContact O-N 3.2Å; N986-E989 PolarHBondContact O-N 3.09Å; N986-E990 PolarHBondContact O-N 3.21Å |
| 987 | E | 28 | Very low | 28.1 | Very low | 134 Ų | 134 | 121 Ų | 121 | 63% | 0.626 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59 | -33 | 175 | -72.2 | -171.5 | 151.1 | 0 | 0 | 112.5 | S983 Y991 | S983-E987 PolarHBondContact O-N 3.11Å; E987-Y991 PolarHBondContact O-N 3.41Å |
| 988 | Y | 28.7 | Very low | 28.3 | Very low | 164 Ų | 164 | 117.5 Ų | 117.5 | 64% | 0.643 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -72.7 | -32.5 | -176.1 | -153.8 | -95.4 | 0 | 0 | 0 | 113.5 | R984 F985 N986 K992 | R984-Y988 PolarHBondContact O-N 3.23Å; F985-Y988 PolarHBondContact O-N 3.31Å; N986-Y988 PolarHBondContact O-N 3.2Å; Y988-K992 PolarHBondContact O-N 2.93Å |
| 989 | E | 28.6 | Very low | 28.7 | Very low | 87 Ų | 87 | 122.5 Ų | 122.5 | 41% | 0.407 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -79.8 | -31.7 | 174.1 | -72.1 | -60.3 | 142.8 | 0 | 0 | 112.7 | N986 Y991 K992 T993 | N986-E989 PolarHBondContact O-N 3.09Å; E989-Y991 VanDerWaalsContact C-N 3.33Å; E989-K992 PolarHBondContact O-N 3.21Å; E989-K992 IonicContact OE1-NZ 2.64Å; E989-K992 PolarHBondContact OE1-NZ 2.97Å; E989-K992 IonicContact OE2-NZ 3.9Å; E989-T993 PolarHBondContact O-N 3.42Å; E989-T993 PolarHBondContact O-OG1 2.81Å |
| 990 | E | 28.5 | Very low | 28.9 | Very low | 134 Ų | 134 | 121.2 Ų | 121.2 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.7 | -41.4 | 166.8 | -76 | -164.2 | 143.8 | 0 | 0 | 111.3 | N986 K992 T993 L994 | N986-E990 PolarHBondContact O-N 3.21Å; E990-K992 VanDerWaalsContact C-N 3.34Å; E990-K992 PolarHBondContact O-N 3.49Å; E990-T993 WeakPolarHBondContact CA-OG1 3.45Å; E990-T993 PolarHBondContact O-N 3.43Å; E990-T993 PolarHBondContact O-OG1 3.2Å; E990-L994 WeakPolarHBondContact O-CB 3.12Å; E990-L994 WeakPolarHBondContact O-CG 3.47Å; E990-L994 PolarHBondContact O-N 3.39Å |
| 991 | Y | 28.3 | Very low | 29.6 | Very low | 184 Ų | 184 | 114.5 Ų | 114.5 | 72% | 0.722 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.7 | -34.2 | 177.5 | -135.9 | -82.3 | 0 | 0 | 0 | 113 | E987 E989 S995 | E987-Y991 PolarHBondContact O-N 3.41Å; E989-Y991 VanDerWaalsContact C-N 3.33Å; Y991-S995 VanDerWaalsContact O-CB 3.23Å; Y991-S995 WeakPolarHBondContact O-CB 3.36Å; Y991-S995 PolarHBondContact O-N 2.84Å |
| 992 | K | 28.1 | Very low | 30.3 | Very low | 105 Ų | 105 | 112.8 Ų | 112.8 | 46% | 0.457 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.9 | -46.1 | 172.4 | -82.3 | -178.8 | -170.8 | 162.8 | 0 | 112.3 | Y988 E989 E990 S995 S996 | Y988-K992 PolarHBondContact O-N 2.93Å; E989-K992 PolarHBondContact O-N 3.21Å; E989-K992 IonicContact OE1-NZ 2.64Å; E989-K992 PolarHBondContact OE1-NZ 2.97Å; E989-K992 IonicContact OE2-NZ 3.9Å; E990-K992 VanDerWaalsContact C-N 3.34Å; E990-K992 PolarHBondContact O-N 3.49Å; K992-S995 PolarHBondContact O-N 2.87Å; K992-S996 PolarHBondContact O-N 3.47Å; K992-S996 PolarHBondContact O-OG 3.06Å |
| 993 | T | 30.7 | Very low | 31.1 | Very low | 75 Ų | 75 | 111.5 Ų | 111.5 | 46% | 0.46 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.8 | -38.8 | -179.2 | 43.8 | 0 | 0 | 0 | 0 | 111.7 | E989 E990 S996 F997 | E989-T993 PolarHBondContact O-N 3.42Å; E989-T993 PolarHBondContact O-OG1 2.81Å; E990-T993 WeakPolarHBondContact CA-OG1 3.45Å; E990-T993 PolarHBondContact O-N 3.43Å; E990-T993 PolarHBondContact O-OG1 3.2Å; T993-S996 PolarHBondContact O-N 3.09Å; T993-S996 PolarHBondContact O-OG 2.98Å; T993-F997 WeakPolarHBondContact O-CD2 3.48Å; T993-F997 PolarHBondContact O-N 2.72Å |
| 994 | L | 27.6 | Very low | 31.5 | Very low | 117 Ų | 117 | 112.9 Ų | 112.9 | 61% | 0.613 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.9 | -39.8 | 170.2 | -72.9 | 164.2 | 0 | 0 | 0 | 112.5 | E990 S996 F997 A998 | E990-L994 WeakPolarHBondContact O-CB 3.12Å; E990-L994 WeakPolarHBondContact O-CG 3.47Å; E990-L994 PolarHBondContact O-N 3.39Å; L994-S996 PolarHBondContact O-N 3.22Å; L994-F997 PolarHBondContact O-N 3.34Å; L994-A998 PolarHBondContact O-N 2.97Å; L994-A998 VanDerWaalsContact O-N 3.13Å |
| 995 | S | 33.2 | Very low | 32 | Very low | 46 Ų | 46 | 108.2 Ų | 108.2 | 32% | 0.322 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.8 | -31.7 | 177 | -172.9 | 0 | 0 | 0 | 0 | 113.7 | Y991 K992 K999 | Y991-S995 VanDerWaalsContact O-CB 3.23Å; Y991-S995 WeakPolarHBondContact O-CB 3.36Å; Y991-S995 PolarHBondContact O-N 2.84Å; K992-S995 PolarHBondContact O-N 2.87Å; S995-K999 PolarHBondContact OG-NZ 2.96Å |
| 996 | S | 34.6 | Very low | 32.7 | Very low | 67 Ų | 67 | 104.5 Ų | 104.5 | 47% | 0.469 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -72.1 | -40.6 | 176 | 50.1 | 0 | 0 | 0 | 0 | 111.7 | K992 T993 L994 A998 K999 M1000 | K992-S996 PolarHBondContact O-N 3.47Å; K992-S996 PolarHBondContact O-OG 3.06Å; T993-S996 PolarHBondContact O-N 3.09Å; T993-S996 PolarHBondContact O-OG 2.98Å; L994-S996 PolarHBondContact O-N 3.22Å; S996-A998 VanDerWaalsContact C-N 3.32Å; S996-A998 PolarHBondContact O-N 3.38Å; S996-K999 PolarHBondContact O-N 2.87Å; S996-K999 VanDerWaalsContact O-N 3.13Å; S996-M1000 PolarHBondContact O-N 3.4Å |
| 997 | F | 32.3 | Very low | 33.3 | Very low | 134 Ų | 134 | 106 Ų | 106 | 59% | 0.588 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.2 | -40.2 | 171.8 | -85 | -70.5 | 0 | 0 | 0 | 112.6 | T993 L994 K999 M1000 | T993-F997 WeakPolarHBondContact O-CD2 3.48Å; T993-F997 PolarHBondContact O-N 2.72Å; L994-F997 PolarHBondContact O-N 3.34Å; F997-K999 PolarHBondContact O-N 3.35Å; F997-K999 VanDerWaalsContact O-N 3.12Å; F997-M1000 HydrophobicContact CD1-SD 3.64Å; F997-M1000 HydrophobicContact CE1-SD 3.96Å; F997-M1000 PolarHBondContact O-N 3.44Å |
| 998 | A | 34 | Very low | 33.4 | Very low | 90 Ų | 90 | 104 Ų | 104 | 74% | 0.744 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -9.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L994 S996 | L994-A998 PolarHBondContact O-N 2.97Å; L994-A998 VanDerWaalsContact O-N 3.13Å; S996-A998 VanDerWaalsContact C-N 3.32Å; S996-A998 PolarHBondContact O-N 3.38Å |
| 999 | K | 35.4 | Very low | 33.8 | Very low | 164 Ų | 164 | 99.5 Ų | 99.5 | 71% | 0.713 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | -1.4 | 179.2 | -73.7 | 171.3 | -179.8 | 158.7 | 0 | 114 | S995 S996 F997 | S995-K999 PolarHBondContact OG-NZ 2.96Å; S996-K999 PolarHBondContact O-N 2.87Å; S996-K999 VanDerWaalsContact O-N 3.13Å; F997-K999 PolarHBondContact O-N 3.35Å; F997-K999 VanDerWaalsContact O-N 3.12Å |
| 1000 | M | 30.8 | Very low | 34.1 | Very low | 56 Ų | 56 | 101.8 Ų | 101.8 | 28% | 0.276 | 54% | 0.538 | S | S | . | . | trans | -68.6 | 136.8 | 177 | -66 | -177.3 | 68.3 | 0 | 0 | 110.7 | S996 F997 E1004 L1008 | S996-M1000 PolarHBondContact O-N 3.4Å; F997-M1000 HydrophobicContact CD1-SD 3.64Å; F997-M1000 HydrophobicContact CE1-SD 3.96Å; F997-M1000 PolarHBondContact O-N 3.44Å; M1000-E1004 HydrophobicContact CB-CB 4.42Å; M1000-E1004 HydrophobicContact CE-CB 3.76Å; M1000-L1008 HydrophobicContact CE-CD1 3.74Å | ||
| 1001 | S | 40.7 | Very low | 34.2 | Very low | 48 Ų | 48 | 100.8 Ų | 100.8 | 34% | 0.336 | 54% | 0.537 | S | S | . | . | trans | -69.4 | 154.1 | 177.3 | 63.3 | 0 | 0 | 0 | 0 | 111.3 | T1003 E1004 L1005 | S1001-T1003 PolarHBondContact O-N 2.9Å; S1001-T1003 VanDerWaalsContact O-N 3.12Å; S1001-T1003 PolarHBondContact OG-OG1 3.48Å; S1001-E1004 PolarHBondContact N-OE2 3.44Å; S1001-E1004 PolarHBondContact O-N 3.38Å; S1001-E1004 WeakPolarHBondContact OG-CG 3.26Å; S1001-E1004 PolarHBondContact OG-N 3.32Å; S1001-E1004 PolarHBondContact OG-OE2 2.94Å; S1001-L1005 PolarHBondContact O-N 2.9Å; S1001-L1005 VanDerWaalsContact O-N 3.14Å | ||
| 1002 | T | 39.8 | Very low | 34.4 | Very low | 116 Ų | 116 | 98.7 Ų | 98.7 | 71% | 0.712 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -55.2 | -32 | 176.1 | 48.1 | 0 | 0 | 0 | 0 | 112.5 | L1005 S1006 | T1002-L1005 PolarHBondContact O-N 2.97Å; T1002-S1006 PolarHBondContact O-N 2.84Å; T1002-S1006 PolarHBondContact O-OG 2.97Å |
| 1003 | T | 39.5 | Very low | 34.5 | Very low | 99 Ų | 99 | 100 Ų | 100 | 61% | 0.607 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.7 | -31.7 | 171.9 | 27.1 | 0 | 0 | 0 | 0 | 114.9 | S1001 K1007 | S1001-T1003 PolarHBondContact O-N 2.9Å; S1001-T1003 VanDerWaalsContact O-N 3.12Å; S1001-T1003 PolarHBondContact OG-OG1 3.48Å; T1003-K1007 PolarHBondContact O-N 3.3Å |
| 1004 | E | 37.3 | Very low | 34.5 | Very low | 94 Ų | 94 | 101 Ų | 101 | 44% | 0.439 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -79.4 | -37.9 | 176.1 | -70.4 | 163.5 | 136.5 | 0 | 0 | 111 | M1000 S1001 S1006 K1007 L1008 | M1000-E1004 HydrophobicContact CB-CB 4.42Å; M1000-E1004 HydrophobicContact CE-CB 3.76Å; S1001-E1004 PolarHBondContact N-OE2 3.44Å; S1001-E1004 PolarHBondContact O-N 3.38Å; S1001-E1004 WeakPolarHBondContact OG-CG 3.26Å; S1001-E1004 PolarHBondContact OG-N 3.32Å; S1001-E1004 PolarHBondContact OG-OE2 2.94Å; E1004-S1006 PolarHBondContact O-N 2.89Å; E1004-K1007 PolarHBondContact O-N 3.2Å; E1004-L1008 PolarHBondContact O-N 2.95Å; E1004-L1008 VanDerWaalsContact O-N 3.11Å |
| 1005 | L | 36.4 | Very low | 34.4 | Very low | 93 Ų | 93 | 101.9 Ų | 101.9 | 49% | 0.487 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.7 | -40.3 | 171.6 | -73.1 | 166.1 | 0 | 0 | 0 | 112.1 | S1001 T1002 K1007 L1008 S1009 | S1001-L1005 PolarHBondContact O-N 2.9Å; S1001-L1005 VanDerWaalsContact O-N 3.14Å; T1002-L1005 PolarHBondContact O-N 2.97Å; L1005-K1007 PolarHBondContact O-N 3.12Å; L1005-L1008 PolarHBondContact O-N 3.16Å; L1005-S1009 PolarHBondContact O-N 3.05Å |
| 1006 | S | 39.1 | Very low | 34.2 | Very low | 71 Ų | 71 | 106.5 Ų | 106.5 | 50% | 0.497 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63 | -38.8 | 173.6 | -70.5 | 0 | 0 | 0 | 0 | 113.2 | T1002 E1004 S1009 E1010 | T1002-S1006 PolarHBondContact O-N 2.84Å; T1002-S1006 PolarHBondContact O-OG 2.97Å; E1004-S1006 PolarHBondContact O-N 2.89Å; S1006-S1009 WeakPolarHBondContact O-CB 3.37Å; S1006-S1009 PolarHBondContact O-N 3.44Å; S1006-E1010 PolarHBondContact O-N 3.23Å |
| 1007 | K | 37 | Very low | 33.8 | Very low | 148 Ų | 148 | 108 Ų | 108 | 64% | 0.643 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.3 | -36.6 | 176.1 | -75.9 | -178 | 175.9 | -174.8 | 0 | 112.8 | T1003 E1004 L1005 S1009 E1010 L1011 | T1003-K1007 PolarHBondContact O-N 3.3Å; E1004-K1007 PolarHBondContact O-N 3.2Å; L1005-K1007 PolarHBondContact O-N 3.12Å; K1007-S1009 VanDerWaalsContact C-N 3.35Å; K1007-E1010 PolarHBondContact O-N 3.02Å; K1007-L1011 PolarHBondContact O-N 2.93Å; K1007-L1011 VanDerWaalsContact O-N 3.12Å |
| 1008 | L | 30.7 | Very low | 33.5 | Very low | 92 Ų | 92 | 108.6 Ų | 108.6 | 48% | 0.482 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.4 | -38.2 | 172.4 | -101.2 | 150.4 | 0 | 0 | 0 | 111.9 | M1000 E1004 L1005 L1011 H1012 | M1000-L1008 HydrophobicContact CE-CD1 3.74Å; E1004-L1008 PolarHBondContact O-N 2.95Å; E1004-L1008 VanDerWaalsContact O-N 3.11Å; L1005-L1008 PolarHBondContact O-N 3.16Å; L1008-L1011 PolarHBondContact O-N 3.03Å; L1008-H1012 PolarHBondContact O-N 2.58Å |
| 1009 | S | 37.2 | Very low | 33.1 | Very low | 70 Ų | 70 | 111.2 Ų | 111.2 | 49% | 0.49 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.5 | -44.9 | 173.4 | -179.6 | 0 | 0 | 0 | 0 | 112.9 | L1005 S1006 K1007 L1011 H1012 H1013 | L1005-S1009 PolarHBondContact O-N 3.05Å; S1006-S1009 WeakPolarHBondContact O-CB 3.37Å; S1006-S1009 PolarHBondContact O-N 3.44Å; K1007-S1009 VanDerWaalsContact C-N 3.35Å; S1009-L1011 PolarHBondContact O-N 3.19Å; S1009-H1012 PolarHBondContact O-N 2.98Å; S1009-H1013 PolarHBondContact O-N 3.44Å |
| 1010 | E | 35.6 | Very low | 32.7 | Very low | 134 Ų | 134 | 112.2 Ų | 112.2 | 63% | 0.626 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.7 | -39.9 | 175.5 | -80 | -176.7 | 140.7 | 0 | 0 | 112.5 | S1006 K1007 H1012 H1013 T1014 | S1006-E1010 PolarHBondContact O-N 3.23Å; K1007-E1010 PolarHBondContact O-N 3.02Å; E1010-H1012 VanDerWaalsContact C-N 3.34Å; E1010-H1012 PolarHBondContact O-N 3.41Å; E1010-H1013 PolarHBondContact O-N 3.47Å; E1010-T1014 PolarHBondContact O-N 3.41Å; E1010-T1014 PolarHBondContact O-OG1 3.36Å |
| 1011 | L | 30.4 | Very low | 32.4 | Very low | 114 Ų | 114 | 118.2 Ų | 118.2 | 60% | 0.597 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -61.8 | -42.1 | 174.1 | -111.5 | 160.3 | 0 | 0 | 0 | 111.9 | K1007 L1008 S1009 T1014 L1015 | K1007-L1011 PolarHBondContact O-N 2.93Å; K1007-L1011 VanDerWaalsContact O-N 3.12Å; L1008-L1011 PolarHBondContact O-N 3.03Å; S1009-L1011 PolarHBondContact O-N 3.19Å; L1011-T1014 PolarHBondContact O-N 3.42Å; L1011-L1015 PolarHBondContact O-N 3.25Å |
| 1012 | H | 31.4 | Very low | 31.7 | Very low | 139 Ų | 139 | 126.6 Ų | 126.6 | 64% | 0.644 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -66.5 | -35.5 | 176.2 | -163.6 | -78.1 | 0 | 0 | 0 | 112.5 | L1008 S1009 E1010 | L1008-H1012 PolarHBondContact O-N 2.58Å; S1009-H1012 PolarHBondContact O-N 2.98Å; E1010-H1012 VanDerWaalsContact C-N 3.34Å; E1010-H1012 PolarHBondContact O-N 3.41Å |
| 1013 | H | 30.7 | Very low | 31 | Very low | 134 Ų | 134 | 128.5 Ų | 128.5 | 62% | 0.62 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -72.2 | -37.3 | 176.1 | -113.6 | -48.1 | 0 | 0 | 0 | 113 | S1009 E1010 L1015 H1016 | S1009-H1013 PolarHBondContact O-N 3.44Å; E1010-H1013 PolarHBondContact O-N 3.47Å; H1013-L1015 VanDerWaalsContact C-N 3.31Å; H1013-L1015 PolarHBondContact O-N 3.23Å; H1013-H1016 PolarHBondContact O-N 3.42Å; H1013-H1016 VanDerWaalsContact O-N 3.13Å |
| 1014 | T | 30.8 | Very low | 30.4 | Very low | 95 Ų | 95 | 132.7 Ų | 132.7 | 58% | 0.583 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -63.4 | -38.5 | 179.7 | -50.1 | 0 | 0 | 0 | 0 | 111.4 | E1010 L1011 H1016 | E1010-T1014 PolarHBondContact O-N 3.41Å; E1010-T1014 PolarHBondContact O-OG1 3.36Å; L1011-T1014 PolarHBondContact O-N 3.42Å; T1014-H1016 PolarHBondContact O-N 2.91Å; T1014-H1016 VanDerWaalsContact O-N 3.13Å |
| 1015 | L | 25.8 | Very low | 29.9 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 71% | 0.712 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -7.8 | 176.2 | -81.1 | 161.8 | 0 | 0 | 0 | 114.8 | L1011 H1013 | L1011-L1015 PolarHBondContact O-N 3.25Å; H1013-L1015 VanDerWaalsContact C-N 3.31Å; H1013-L1015 PolarHBondContact O-N 3.23Å |
| 1016 | H | 29 | Very low | 29.5 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 66% | 0.657 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -8.1 | -177 | -126.8 | 42.6 | 0 | 0 | 0 | 114.8 | H1013 T1014 | H1013-H1016 PolarHBondContact O-N 3.42Å; H1013-H1016 VanDerWaalsContact O-N 3.13Å; T1014-H1016 PolarHBondContact O-N 2.91Å; T1014-H1016 VanDerWaalsContact O-N 3.13Å |
| 1017 | C | 25.9 | Very low | 29.1 | Very low | 98 Ų | 98 | 141.9 Ų | 141.9 | 66% | 0.662 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -21 | -172.6 | -71.6 | 0 | 0 | 0 | 0 | 115.9 | N1019 | C1017-N1019 VanDerWaalsContact C-N 3.33Å; C1017-N1019 PolarHBondContact O-N 3.25Å |
| 1018 | D | 25.6 | Very low | 28.8 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | trans | -87.3 | 10.5 | -173.3 | -76.9 | -14.8 | 0 | 0 | 0 | 115.2 | K1020 | D1018-K1020 PolarHBondContact O-N 2.92Š| ||
| 1019 | N | 26.3 | Very low | 28.8 | Very low | 144 Ų | 144 | 142.9 Ų | 142.9 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | trans | -75.9 | 37.5 | 177 | -88.5 | -27.6 | 0 | 0 | 0 | 114.5 | C1017 | C1017-N1019 VanDerWaalsContact C-N 3.33Å; C1017-N1019 PolarHBondContact O-N 3.25Å | ||
| 1020 | K | 27.5 | Very low | 28.4 | Very low | 186 Ų | 186 | 146.9 Ų | 146.9 | 81% | 0.809 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -135.9 | 59 | 174.2 | -73.8 | -170.1 | 179.1 | 178.1 | 0 | 112.6 | D1018 | D1018-K1020 PolarHBondContact O-N 2.92Š|
| 1021 | H | 24.2 | Very low | 28.1 | Very low | 182 Ų | 182 | 145.1 Ų | 145.1 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | trans | 173.9 | 78.4 | 148 | -96.1 | -66.3 | 0 | 0 | 0 | 110.5 | ||||
| 1022 | F | 24.7 | Very low | 28.2 | Very low | 223 Ų | 223 | 143.7 Ų | 143.7 | 98% | 0.978 | 72% | 0.721 | S | S | * | * | trans | -143.4 | 130.5 | 155 | -96.2 | -71.7 | 0 | 0 | 0 | 111.1 | ||||
| 1023 | D | 25 | Very low | 28.1 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 83% | 0.834 | 72% | 0.719 | S | S | * | * | trans | -82.2 | 160.4 | -171.4 | -116.7 | -48.5 | 0 | 0 | 0 | 112.7 | N1025 | D1023-N1025 PolarHBondContact O-N 2.93Å; D1023-N1025 VanDerWaalsContact O-N 3.12Å | ||
| 1024 | K | 27.7 | Very low | 27.7 | Very low | 187 Ų | 187 | 142 Ų | 142 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -69.7 | 104.4 | -169.4 | -64.7 | 163.5 | 179.9 | 165.9 | 0 | 112.7 | ||
| 1025 | N | 26.2 | Very low | 27.8 | Very low | 158 Ų | 158 | 141.9 Ų | 141.9 | 85% | 0.845 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -174 | 70.1 | 146.2 | -101.1 | -13.5 | 0 | 0 | 0 | 113.4 | D1023 | D1023-N1025 PolarHBondContact O-N 2.93Å; D1023-N1025 VanDerWaalsContact O-N 3.12Å |
| 1026 | E | 27.9 | Very low | 28 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 78% | 0.776 | 70% | 0.703 | S | S | * | * | trans | -165.5 | 30.8 | 158.6 | -119.3 | 171.2 | -144.3 | 0 | 0 | 115.6 | N1028 | E1026-N1028 VanDerWaalsContact C-N 3.27Å; E1026-N1028 PolarHBondContact O-N 2.89Å | ||
| 1027 | N | 31 | Very low | 28 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 68% | 0.679 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -69.6 | -1.2 | -163.8 | -111.1 | 18.4 | 0 | 0 | 0 | 117.9 | I1031 | N1027-I1031 WeakPolarHBondContact O-CD1 3.29Å |
| 1028 | N | 30.5 | Very low | 28 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -91.2 | -22.3 | -174.8 | -75.7 | 0.8 | 0 | 0 | 0 | 114.7 | E1026 T1032 | E1026-N1028 VanDerWaalsContact C-N 3.27Å; E1026-N1028 PolarHBondContact O-N 2.89Å; N1028-T1032 PolarHBondContact O-OG1 2.94Å |
| 1029 | N | 31.2 | Very low | 28.3 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 67% | 0.674 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -88.7 | -28.7 | -176 | -73.3 | -18.2 | 0 | 0 | 0 | 113.6 | ||
| 1030 | Q | 28.5 | Very low | 28.4 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 72% | 0.72 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -84.1 | -29.7 | -178.1 | -69.1 | -171.7 | -2 | 0 | 0 | 114.1 | T1032 L1033 M1034 | Q1030-T1032 VanDerWaalsContact C-N 3.3Å; Q1030-T1032 PolarHBondContact O-N 3.16Å; Q1030-L1033 PolarHBondContact O-N 3.2Å; Q1030-M1034 PolarHBondContact O-N 2.94Å |
| 1031 | I | 30.1 | Very low | 28.4 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 49% | 0.492 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -63.3 | -40.3 | 175.4 | -63.3 | 177.2 | 0 | 0 | 0 | 110.5 | N1027 L1033 M1034 N1035 | N1027-I1031 WeakPolarHBondContact O-CD1 3.29Å; I1031-L1033 VanDerWaalsContact C-N 3.31Å; I1031-L1033 PolarHBondContact O-N 2.77Å; I1031-M1034 PolarHBondContact O-N 3.48Å; I1031-N1035 PolarHBondContact O-N 3.35Å |
| 1032 | T | 33 | Very low | 28.5 | Very low | 85 Ų | 85 | 133.4 Ų | 133.4 | 52% | 0.521 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -62.2 | -37 | 174.7 | -49 | 0 | 0 | 0 | 0 | 112.1 | N1028 Q1030 N1036 | N1028-T1032 PolarHBondContact O-OG1 2.94Å; Q1030-T1032 VanDerWaalsContact C-N 3.3Å; Q1030-T1032 PolarHBondContact O-N 3.16Å; T1032-N1036 VanDerWaalsContact O-CG 3.3Å; T1032-N1036 PolarHBondContact O-N 3.44Å; T1032-N1036 PolarHBondContact O-ND2 3.35Å |
| 1033 | L | 27.9 | Very low | 28.5 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 59% | 0.592 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -72.7 | -40.9 | 176.9 | -162.4 | 70.3 | 0 | 0 | 0 | 112.2 | Q1030 I1031 N1036 I1037 | Q1030-L1033 PolarHBondContact O-N 3.2Å; I1031-L1033 VanDerWaalsContact C-N 3.31Å; I1031-L1033 PolarHBondContact O-N 2.77Å; L1033-N1036 PolarHBondContact O-N 2.63Å; L1033-I1037 WeakPolarHBondContact O-CG1 3.11Å; L1033-I1037 PolarHBondContact O-N 3.2Å; L1033-I1037 VanDerWaalsContact O-N 3.16Å |
| 1034 | M | 23.6 | Very low | 28.5 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 62% | 0.616 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -62.7 | -43.4 | 177.8 | -163.3 | 91.7 | 81.8 | 0 | 0 | 111.8 | Q1030 I1031 N1036 I1037 L1038 | Q1030-M1034 PolarHBondContact O-N 2.94Å; I1031-M1034 PolarHBondContact O-N 3.48Å; M1034-N1036 VanDerWaalsContact C-N 3.34Å; M1034-N1036 PolarHBondContact O-N 2.92Å; M1034-I1037 PolarHBondContact O-N 2.93Å; M1034-L1038 HydrophobicContact CG-CD1 4.45Å; M1034-L1038 PolarHBondContact O-N 3.42Å |
| 1035 | N | 32 | Very low | 28.4 | Very low | 92 Ų | 92 | 126.8 Ų | 126.8 | 49% | 0.492 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -65 | -36.9 | 177 | -75.1 | -17.6 | 0 | 0 | 0 | 112.3 | I1031 I1037 L1038 Q1039 | I1031-N1035 PolarHBondContact O-N 3.35Å; N1035-I1037 VanDerWaalsContact C-N 3.27Å; N1035-I1037 PolarHBondContact O-N 2.88Å; N1035-L1038 PolarHBondContact O-N 2.95Å; N1035-Q1039 PolarHBondContact O-N 3.2Å |
| 1036 | N | 30.5 | Very low | 28.2 | Very low | 87 Ų | 87 | 126.1 Ų | 126.1 | 47% | 0.465 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -67.3 | -25 | 175 | -78.1 | -25.6 | 0 | 0 | 0 | 113.6 | T1032 L1033 M1034 R1040 | T1032-N1036 VanDerWaalsContact O-CG 3.3Å; T1032-N1036 PolarHBondContact O-N 3.44Å; T1032-N1036 PolarHBondContact O-ND2 3.35Å; L1033-N1036 PolarHBondContact O-N 2.63Å; M1034-N1036 VanDerWaalsContact C-N 3.34Å; M1034-N1036 PolarHBondContact O-N 2.92Å; N1036-R1040 WeakPolarHBondContact O-CG 3.21Å |
| 1037 | I | 28 | Very low | 28 | Very low | 112 Ų | 112 | 123.4 Ų | 123.4 | 57% | 0.574 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -80.6 | -46.1 | 174.4 | -66.5 | 169.3 | 0 | 0 | 0 | 110.2 | L1033 M1034 N1035 Q1039 R1040 S1041 | L1033-I1037 WeakPolarHBondContact O-CG1 3.11Å; L1033-I1037 PolarHBondContact O-N 3.2Å; L1033-I1037 VanDerWaalsContact O-N 3.16Å; M1034-I1037 PolarHBondContact O-N 2.93Å; N1035-I1037 VanDerWaalsContact C-N 3.27Å; N1035-I1037 PolarHBondContact O-N 2.88Å; I1037-Q1039 PolarHBondContact O-N 3.37Å; I1037-R1040 PolarHBondContact O-N 2.71Å; I1037-R1040 VanDerWaalsContact O-N 3.09Å; I1037-S1041 PolarHBondContact O-N 3.32Å |
| 1038 | L | 27.3 | Very low | 27.8 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 60% | 0.597 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -65.4 | -32.7 | -179.7 | -76 | 169.1 | 0 | 0 | 0 | 113.7 | M1034 N1035 R1040 S1041 | M1034-L1038 HydrophobicContact CG-CD1 4.45Å; M1034-L1038 PolarHBondContact O-N 3.42Å; N1035-L1038 PolarHBondContact O-N 2.95Å; L1038-R1040 VanDerWaalsContact C-N 3.32Å; L1038-S1041 PolarHBondContact O-OG 3.08Å; L1038-S1041 VanDerWaalsContact O-OG 3.14Å |
| 1039 | Q | 31.4 | Very low | 27.6 | Very low | 147 Ų | 147 | 128 Ų | 128 | 69% | 0.687 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -17 | 173.3 | -73.9 | -159.5 | -13.5 | 0 | 0 | 114.3 | N1035 I1037 | N1035-Q1039 PolarHBondContact O-N 3.2Å; I1037-Q1039 PolarHBondContact O-N 3.37Å |
| 1040 | R | 27.5 | Very low | 27.1 | Very low | 215 Ų | 215 | 129.9 Ų | 129.9 | 81% | 0.811 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -12.8 | 178.3 | -76.9 | -178 | 174.2 | -161.4 | -2.8 | 113.9 | N1036 I1037 L1038 | N1036-R1040 WeakPolarHBondContact O-CG 3.21Å; I1037-R1040 PolarHBondContact O-N 2.71Å; I1037-R1040 VanDerWaalsContact O-N 3.09Å; L1038-R1040 VanDerWaalsContact C-N 3.32Å |
| 1041 | S | 27.7 | Very low | 26.9 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 66% | 0.664 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -90.7 | -1.4 | 177.4 | 49.6 | 0 | 0 | 0 | 0 | 115.5 | I1037 L1038 | I1037-S1041 PolarHBondContact O-N 3.32Å; L1038-S1041 PolarHBondContact O-OG 3.08Å; L1038-S1041 VanDerWaalsContact O-OG 3.14Å |
| 1042 | S | 27.8 | Very low | 26.5 | Very low | 87 Ų | 87 | 127.5 Ų | 127.5 | 61% | 0.608 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -99.2 | -2.8 | -179.8 | 63.5 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1043 | Y | 24.5 | Very low | 26.1 | Very low | 213 Ų | 213 | 132.6 Ų | 132.6 | 84% | 0.835 | 72% | 0.715 | S | S | * | * | trans | -108.5 | 77.9 | 177.8 | -77.4 | -82.2 | 0 | 0 | 0 | 111.2 | ||||
| 1044 | G | 23.9 | Very low | 25.8 | Very low | 62 Ų | 62 | 134.7 Ų | 134.7 | 64% | 0.639 | 72% | 0.721 | S | S | * | * | trans | -155.5 | 116.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1045 | N | 25.5 | Very low | 25.9 | Very low | 152 Ų | 152 | 135 Ų | 135 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | trans | 69 | 73.5 | 164.1 | -58.4 | -28.6 | 0 | 0 | 0 | 119.4 | ||||
| 1046 | T | 23.2 | Very low | 25.4 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | trans | -128.7 | 19.2 | 145.4 | 51.5 | 0 | 0 | 0 | 0 | 113.9 | K1048 | T1046-K1048 PolarHBondContact O-N 3.43Š| ||
| 1047 | S | 23.2 | Very low | 25 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -77.4 | 59 | 170.6 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1048 | K | 27.2 | Very low | 24.9 | Very low | 193 Ų | 193 | 143.2 Ų | 143.2 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | -158.5 | 48.8 | 175.5 | -127.4 | 173.5 | -169.1 | 177.3 | 0 | 116.5 | T1046 | T1046-K1048 PolarHBondContact O-N 3.43Š| ||
| 1049 | I | 26.5 | Very low | 24.6 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 86% | 0.862 | 78% | 0.784 | S | S | * | * | trans | -123.8 | 104.6 | 155.1 | -59.4 | -177.3 | 0 | 0 | 0 | 108 | ||||
| 1050 | L | 20.6 | Very low | 24.2 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | -73.9 | 144 | 169.4 | -80.2 | 129.7 | 0 | 0 | 0 | 109.4 | ||||
| 1051 | G | 23.9 | Very low | 23.9 | Very low | 70 Ų | 70 | 141.3 Ų | 141.3 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -177.5 | 63.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | H1053 | G1051-H1053 PolarHBondContact O-N 2.94Š| ||
| 1052 | T | 22.6 | Very low | 23.7 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | trans | -59.2 | 120.1 | 172.2 | 45.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1053 | H | 23.1 | Very low | 23.4 | Very low | 192 Ų | 192 | 144.4 Ų | 144.4 | 89% | 0.889 | 80% | 0.804 | S | S | * | * | trans | -121.9 | 111.2 | 158.8 | -116.2 | -76.8 | 0 | 0 | 0 | 108.9 | G1051 | G1051-H1053 PolarHBondContact O-N 2.94Š| ||
| 1054 | Q | 22.4 | Very low | 23.3 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -80.2 | 160.9 | 170.5 | -92.2 | -179.7 | -94.1 | 0 | 0 | 110.7 | ||||
| 1055 | D | 24.4 | Very low | 23.3 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | trans | 61 | 85.2 | 152.9 | -47.3 | -18 | 0 | 0 | 0 | 118.1 | ||||
| 1056 | I | 23.3 | Very low | 23.2 | Very low | 166 Ų | 166 | 145.9 Ų | 145.9 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -133.4 | 86.8 | 137.5 | -54.9 | -177.5 | 0 | 0 | 0 | 108.7 | ||||
| 1057 | E | 21.1 | Very low | 23.4 | Very low | 193 Ų | 193 | 146.1 Ų | 146.1 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -82.9 | 121.6 | 153.1 | -72.2 | -173.6 | 150 | 0 | 0 | 108.5 | ||||
| 1058 | S | 25.6 | Very low | 23.5 | Very low | 105 Ų | 105 | 148.2 Ų | 148.2 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -178.4 | 131.5 | 141 | 37.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1059 | N | 21.8 | Very low | 23.6 | Very low | 160 Ų | 160 | 148 Ų | 148 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | -52.4 | 135.4 | 172.7 | -63 | -45.2 | 0 | 0 | 0 | 113.3 | ||||
| 1060 | T | 23.4 | Very low | 23.9 | Very low | 131 Ų | 131 | 145.7 Ų | 145.7 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -149 | 113.1 | 130.3 | 36.7 | 0 | 0 | 0 | 0 | 110.5 | V1062 | T1060-V1062 PolarHBondContact O-N 2.68Š| ||
| 1061 | T | 21.2 | Very low | 24.5 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -70.4 | 109.5 | 159.8 | 46.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1062 | V | 23.6 | Very low | 25.2 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -134.1 | 106.1 | 159.6 | -179.6 | 0 | 0 | 0 | 0 | 107.9 | T1060 D1064 | T1060-V1062 PolarHBondContact O-N 2.68Å; V1062-D1064 PolarHBondContact O-N 3.09Å | ||
| 1063 | T | 20.8 | Very low | 25.9 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | -61.9 | 122.8 | 155 | 46.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1064 | D | 23.4 | Very low | 26.6 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | -175.5 | 152.2 | 123.5 | -89 | -17.6 | 0 | 0 | 0 | 111.5 | V1062 Y1066 | V1062-D1064 PolarHBondContact O-N 3.09Å; D1064-Y1066 PolarHBondContact O-N 3.43Å | |||
| 1065 | S | 23.2 | Very low | 27.6 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -47.5 | 126.3 | -179.2 | 51.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1066 | Y | 23.5 | Very low | 28.5 | Very low | 215 Ų | 215 | 137.9 Ų | 137.9 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | trans | -131.9 | 119.3 | 150.8 | -87.5 | -77.2 | 0 | 0 | 0 | 110.4 | D1064 L1068 | D1064-Y1066 PolarHBondContact O-N 3.43Å; Y1066-L1068 PolarHBondContact O-N 3.07Å | ||
| 1067 | D | 26.7 | Very low | 29.3 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | trans | -59.5 | 123.7 | 171.9 | -57.4 | -72.9 | 0 | 0 | 0 | 110.1 | ||||
| 1068 | L | 25 | Very low | 30.3 | Very low | 152 Ų | 152 | 133 Ų | 133 | 80% | 0.796 | 71% | 0.711 | S | S | * | * | trans | -110.1 | 82.1 | 169.9 | -77.7 | 169.9 | 0 | 0 | 0 | 109.3 | Y1066 D1070 | Y1066-L1068 PolarHBondContact O-N 3.07Å; L1068-D1070 PolarHBondContact O-N 3.15Å | ||
| 1069 | E | 29.9 | Very low | 31.5 | Very low | 189 Ų | 189 | 132.3 Ų | 132.3 | 88% | 0.883 | 70% | 0.696 | S | S | * | * | trans | -63.8 | 79.3 | 159.3 | -69.1 | -169.8 | 141.5 | 0 | 0 | 110 | ||||
| 1070 | D | 32.4 | Very low | 32.4 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | trans | -144.2 | 47.7 | 169.9 | -122.7 | -26.3 | 0 | 0 | 0 | 113.1 | L1068 S1072 | L1068-D1070 PolarHBondContact O-N 3.15Å; D1070-S1072 PolarHBondContact O-N 3.45Å; D1070-S1072 PolarHBondContact OD1-OG 3.06Å | ||
| 1071 | F | 32.6 | Very low | 33.1 | Very low | 159 Ų | 159 | 123.2 Ų | 123.2 | 70% | 0.697 | 66% | 0.656 | S | S | * | * | trans | -79.1 | 14.8 | 167.8 | -85 | -83.1 | 0 | 0 | 0 | 113.5 | D1073 L1074 E1075 | F1071-D1073 PolarHBondContact O-N 2.85Å; F1071-L1074 HydrophobicContact CD1-CB 4.12Å; F1071-L1074 HydrophobicContact CD1-CD2 4.05Å; F1071-L1074 HydrophobicContact CE1-CD2 4.21Å; F1071-L1074 PolarHBondContact O-N 3.22Å; F1071-E1075 PolarHBondContact O-N 3.18Å; F1071-E1075 VanDerWaalsContact O-N 3.17Å | ||
| 1072 | S | 39.6 | Very low | 34 | Very low | 66 Ų | 66 | 119.5 Ų | 119.5 | 46% | 0.462 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -57.2 | -44.7 | -177.7 | 52.9 | 0 | 0 | 0 | 0 | 112.2 | D1070 L1074 L1076 | D1070-S1072 PolarHBondContact O-N 3.45Å; D1070-S1072 PolarHBondContact OD1-OG 3.06Å; S1072-L1074 PolarHBondContact O-N 2.97Å; S1072-L1076 PolarHBondContact O-N 3.07Å |
| 1073 | D | 37.6 | Very low | 34.7 | Very low | 128 Ų | 128 | 119.6 Ų | 119.6 | 68% | 0.684 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.1 | -35.2 | 177.3 | -79.3 | -21.8 | 0 | 0 | 0 | 113.5 | F1071 L1076 V1077 | F1071-D1073 PolarHBondContact O-N 2.85Å; D1073-L1076 PolarHBondContact O-N 3.39Å; D1073-V1077 WeakPolarHBondContact O-CG2 3.32Å; D1073-V1077 PolarHBondContact O-N 3.12Å |
| 1074 | L | 36.9 | Very low | 35.5 | Very low | 117 Ų | 117 | 117.3 Ų | 117.3 | 61% | 0.613 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.1 | -38.9 | -177.8 | -148.6 | 82.1 | 0 | 0 | 0 | 111.8 | F1071 S1072 L1076 V1077 R1078 | F1071-L1074 HydrophobicContact CD1-CB 4.12Å; F1071-L1074 HydrophobicContact CD1-CD2 4.05Å; F1071-L1074 HydrophobicContact CE1-CD2 4.21Å; F1071-L1074 PolarHBondContact O-N 3.22Å; S1072-L1074 PolarHBondContact O-N 2.97Å; L1074-L1076 VanDerWaalsContact C-N 3.33Å; L1074-V1077 PolarHBondContact O-N 3.04Å; L1074-R1078 WeakPolarHBondContact O-CB 3.2Å; L1074-R1078 PolarHBondContact O-N 2.9Å |
| 1075 | E | 43.3 | Very low | 36.1 | Very low | 84 Ų | 84 | 118.1 Ų | 118.1 | 39% | 0.393 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -69.7 | -32.4 | 172.6 | -172.1 | 58.1 | -153.5 | 0 | 0 | 111 | F1071 R1078 Q1079 | F1071-E1075 PolarHBondContact O-N 3.18Å; F1071-E1075 VanDerWaalsContact O-N 3.17Å; E1075-R1078 PolarHBondContact O-N 2.95Å; E1075-R1078 IonicContact OE1-NE 3.59Å; E1075-R1078 VanDerWaalsContact OE2-CD 3.24Å; E1075-R1078 WeakPolarHBondContact OE2-CD 3.24Å; E1075-R1078 IonicContact OE2-NE 2.69Å; E1075-R1078 PolarHBondContact OE2-NE 2.96Å; E1075-Q1079 HydrophobicContact CG-CG 4.26Å; E1075-Q1079 WeakPolarHBondContact O-CB 3.09Å; E1075-Q1079 VanDerWaalsContact O-CG 3.24Å; E1075-Q1079 WeakPolarHBondContact O-CG 3.13Å; E1075-Q1079 PolarHBondContact O-N 2.94Å; E1075-Q1079 PolarHBondContact OE1-NE2 2.74Å |
| 1076 | L | 44.5 | Very low | 36.8 | Very low | 127 Ų | 127 | 118.6 Ų | 118.6 | 67% | 0.665 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.7 | -44.1 | 173.1 | -147.4 | 97.8 | 0 | 0 | 0 | 111.9 | S1072 D1073 L1074 R1078 Q1079 A1080 | S1072-L1076 PolarHBondContact O-N 3.07Å; D1073-L1076 PolarHBondContact O-N 3.39Å; L1074-L1076 VanDerWaalsContact C-N 3.33Å; L1076-R1078 VanDerWaalsContact C-N 3.34Å; L1076-Q1079 PolarHBondContact O-N 3.09Å; L1076-A1080 WeakPolarHBondContact O-CB 3.36Å; L1076-A1080 PolarHBondContact O-N 2.79Å |
| 1077 | V | 40.4 | Very low | 37 | Very low | 100 Ų | 100 | 114.4 Ų | 114.4 | 61% | 0.606 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.5 | -40.8 | 174.1 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | D1073 L1074 A1080 A1081 | D1073-V1077 WeakPolarHBondContact O-CG2 3.32Å; D1073-V1077 PolarHBondContact O-N 3.12Å; L1074-V1077 PolarHBondContact O-N 3.04Å; V1077-A1080 PolarHBondContact O-N 3.4Å; V1077-A1081 WeakPolarHBondContact O-CB 3.22Å; V1077-A1081 PolarHBondContact O-N 2.89Å |
| 1078 | R | 40.9 | Very low | 37.3 | Very low | 156 Ų | 156 | 114.6 Ų | 114.6 | 59% | 0.589 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.3 | -43.3 | 176.6 | 175.8 | 171.6 | 148.6 | 125 | 5.3 | 112.5 | L1074 E1075 L1076 A1081 I1082 | L1074-R1078 WeakPolarHBondContact O-CB 3.2Å; L1074-R1078 PolarHBondContact O-N 2.9Å; E1075-R1078 PolarHBondContact O-N 2.95Å; E1075-R1078 IonicContact OE1-NE 3.59Å; E1075-R1078 VanDerWaalsContact OE2-CD 3.24Å; E1075-R1078 WeakPolarHBondContact OE2-CD 3.24Å; E1075-R1078 IonicContact OE2-NE 2.69Å; E1075-R1078 PolarHBondContact OE2-NE 2.96Å; L1076-R1078 VanDerWaalsContact C-N 3.34Å; R1078-A1081 PolarHBondContact O-N 3.43Å; R1078-I1082 HydrophobicContact CG-CD1 3.92Å; R1078-I1082 VanDerWaalsContact O-CG1 3.27Å; R1078-I1082 WeakPolarHBondContact O-CG1 3.42Å; R1078-I1082 PolarHBondContact O-N 2.98Å |
| 1079 | Q | 50.8 | Low | 37.5 | Very low | 92 Ų | 92 | 112.1 Ų | 112.1 | 43% | 0.43 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.9 | -42.1 | 174.4 | -71.1 | -67.5 | -31.6 | 0 | 0 | 111.4 | E1075 L1076 A1081 I1082 Q1083 | E1075-Q1079 HydrophobicContact CG-CG 4.26Å; E1075-Q1079 WeakPolarHBondContact O-CB 3.09Å; E1075-Q1079 VanDerWaalsContact O-CG 3.24Å; E1075-Q1079 WeakPolarHBondContact O-CG 3.13Å; E1075-Q1079 PolarHBondContact O-N 2.94Å; E1075-Q1079 PolarHBondContact OE1-NE2 2.74Å; L1076-Q1079 PolarHBondContact O-N 3.09Å; Q1079-A1081 PolarHBondContact O-N 3.17Å; Q1079-I1082 PolarHBondContact O-N 2.85Å; Q1079-Q1083 WeakPolarHBondContact O-CG 3.46Å; Q1079-Q1083 PolarHBondContact O-N 3.22Å |
| 1080 | A | 41.3 | Very low | 37.5 | Very low | 57 Ų | 57 | 109.2 Ų | 109.2 | 47% | 0.471 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.1 | -41.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | L1076 V1077 Q1083 A1084 | L1076-A1080 WeakPolarHBondContact O-CB 3.36Å; L1076-A1080 PolarHBondContact O-N 2.79Å; V1077-A1080 PolarHBondContact O-N 3.4Å; A1080-Q1083 PolarHBondContact O-N 3.02Å; A1080-A1084 VanDerWaalsContact O-CB 3.31Å; A1080-A1084 WeakPolarHBondContact O-CB 3.21Å; A1080-A1084 PolarHBondContact O-N 2.89Å |
| 1081 | A | 37.1 | Very low | 37.4 | Very low | 42 Ų | 42 | 108.4 Ų | 108.4 | 35% | 0.347 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.7 | -42.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1077 R1078 Q1079 A1084 M1085 | V1077-A1081 WeakPolarHBondContact O-CB 3.22Å; V1077-A1081 PolarHBondContact O-N 2.89Å; R1078-A1081 PolarHBondContact O-N 3.43Å; Q1079-A1081 PolarHBondContact O-N 3.17Å; A1081-A1084 PolarHBondContact O-N 2.87Å; A1081-M1085 WeakPolarHBondContact O-CG 3.31Å; A1081-M1085 PolarHBondContact O-N 3.1Å |
| 1082 | I | 41.2 | Very low | 37.1 | Very low | 66 Ų | 66 | 108.4 Ų | 108.4 | 34% | 0.338 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.1 | -39.9 | 176.9 | -69.3 | 165.6 | 0 | 0 | 0 | 111.2 | R1078 Q1079 M1085 N1086 | R1078-I1082 HydrophobicContact CG-CD1 3.92Å; R1078-I1082 VanDerWaalsContact O-CG1 3.27Å; R1078-I1082 WeakPolarHBondContact O-CG1 3.42Å; R1078-I1082 PolarHBondContact O-N 2.98Å; Q1079-I1082 PolarHBondContact O-N 2.85Å; I1082-M1085 PolarHBondContact O-N 2.97Å; I1082-N1086 WeakPolarHBondContact O-CB 3.44Å; I1082-N1086 PolarHBondContact O-N 3.36Å |
| 1083 | Q | 38.8 | Very low | 36.5 | Very low | 128 Ų | 128 | 113.1 Ų | 113.1 | 60% | 0.598 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.5 | -42.8 | 173.1 | -74.4 | -172.9 | 0.9 | 0 | 0 | 111.9 | Q1079 A1080 M1085 N1086 L1087 | Q1079-Q1083 WeakPolarHBondContact O-CG 3.46Å; Q1079-Q1083 PolarHBondContact O-N 3.22Å; A1080-Q1083 PolarHBondContact O-N 3.02Å; Q1083-M1085 VanDerWaalsContact C-N 3.28Å; Q1083-M1085 PolarHBondContact O-N 2.85Å; Q1083-N1086 PolarHBondContact O-N 3.16Å; Q1083-L1087 VanDerWaalsContact O-CG 3.3Å; Q1083-L1087 WeakPolarHBondContact O-CG 3.3Å; Q1083-L1087 PolarHBondContact O-N 3.48Å; Q1083-L1087 VanDerWaalsContact O-N 3.14Å |
| 1084 | A | 37.1 | Very low | 36 | Very low | 74 Ų | 74 | 111.8 Ų | 111.8 | 61% | 0.612 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.3 | -33.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1080 A1081 | A1080-A1084 VanDerWaalsContact O-CB 3.31Å; A1080-A1084 WeakPolarHBondContact O-CB 3.21Å; A1080-A1084 PolarHBondContact O-N 2.89Å; A1081-A1084 PolarHBondContact O-N 2.87Å |
| 1085 | M | 34.7 | Very low | 35.5 | Very low | 157 Ų | 157 | 111.3 Ų | 111.3 | 77% | 0.773 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -78.6 | -30.5 | 176.6 | -70.2 | -177.6 | -169.3 | 0 | 0 | 113.7 | A1081 I1082 Q1083 | A1081-M1085 WeakPolarHBondContact O-CG 3.31Å; A1081-M1085 PolarHBondContact O-N 3.1Å; I1082-M1085 PolarHBondContact O-N 2.97Å; Q1083-M1085 VanDerWaalsContact C-N 3.28Å; Q1083-M1085 PolarHBondContact O-N 2.85Å |
| 1086 | N | 38.2 | Very low | 34.6 | Very low | 114 Ų | 114 | 115.4 Ų | 115.4 | 61% | 0.61 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -88.5 | -10.1 | -179.2 | -79.1 | -30.1 | 0 | 0 | 0 | 114.7 | I1082 Q1083 N1088 | I1082-N1086 WeakPolarHBondContact O-CB 3.44Å; I1082-N1086 PolarHBondContact O-N 3.36Å; Q1083-N1086 PolarHBondContact O-N 3.16Å; N1086-N1088 VanDerWaalsContact C-N 3.31Å; N1086-N1088 PolarHBondContact O-N 3.2Å |
| 1087 | L | 29.3 | Very low | 33.7 | Very low | 126 Ų | 126 | 119.1 Ų | 119.1 | 66% | 0.66 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 67.9 | 175.5 | -76.3 | 170 | 0 | 0 | 0 | 112.6 | Q1083 | Q1083-L1087 VanDerWaalsContact O-CG 3.3Å; Q1083-L1087 WeakPolarHBondContact O-CG 3.3Å; Q1083-L1087 PolarHBondContact O-N 3.48Å; Q1083-L1087 VanDerWaalsContact O-N 3.14Å |
| 1088 | N | 31.5 | Very low | 33.1 | Very low | 154 Ų | 154 | 119.3 Ų | 119.3 | 82% | 0.824 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.9 | 11.5 | 162.1 | -104.1 | -32.4 | 0 | 0 | 0 | 117.7 | N1086 | N1086-N1088 VanDerWaalsContact C-N 3.31Å; N1086-N1088 PolarHBondContact O-N 3.2Å |
| 1089 | S | 29.1 | Very low | 32.3 | Very low | 99 Ų | 99 | 119.4 Ų | 119.4 | 69% | 0.692 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -119.3 | 11.5 | -175.4 | 62 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1090 | T | 30.6 | Very low | 31.2 | Very low | 129 Ų | 129 | 120.1 Ų | 120.1 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -122.9 | 13.4 | -174.2 | 49.5 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1091 | S | 29.1 | Very low | 30.3 | Very low | 102 Ų | 102 | 122.8 Ų | 122.8 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -114.6 | 8.1 | 180 | 63.1 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1092 | I | 27.6 | Very low | 29.8 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 82% | 0.815 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -131.9 | 56.4 | 177.6 | -41.7 | -179.6 | 0 | 0 | 0 | 111.2 | ||
| 1093 | D | 26.3 | Very low | 29 | Very low | 164 Ų | 164 | 131.1 Ų | 131.1 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -139.5 | 19 | 173 | -114.1 | -21.1 | 0 | 0 | 0 | 113.4 | ||||
| 1094 | A | 27.2 | Very low | 28.4 | Very low | 100 Ų | 100 | 133 Ų | 133 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -113.1 | 24.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1095 | S | 26.8 | Very low | 27.9 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -166.4 | 91.3 | 166.4 | 49.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1096 | L | 25 | Very low | 27.3 | Very low | 170 Ų | 170 | 132.2 Ų | 132.2 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -175.9 | 49.8 | 148.7 | -100.1 | 159.1 | 0 | 0 | 0 | 112.5 | S1098 | L1096-S1098 PolarHBondContact O-N 3.32Š| ||
| 1097 | H | 24.4 | Very low | 26.8 | Very low | 205 Ų | 205 | 132.1 Ų | 132.1 | 95% | 0.949 | 80% | 0.801 | S | S | * | * | trans | -83 | 97 | 165.3 | -82.3 | -38 | 0 | 0 | 0 | 111.2 | ||||
| 1098 | S | 29.3 | Very low | 26.5 | Very low | 103 Ų | 103 | 132 Ų | 132 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | trans | -166.3 | 99.2 | 152.4 | 42.6 | 0 | 0 | 0 | 0 | 114 | L1096 | L1096-S1098 PolarHBondContact O-N 3.32Š| ||
| 1099 | N | 23.2 | Very low | 26.4 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | -3.2 | 128.7 | 149.3 | -53.8 | -27.8 | 0 | 0 | 0 | 117.7 | ||||
| 1100 | S | 26.9 | Very low | 26.3 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 76% | 0.755 | 84% | 0.839 | S | S | * | * | 171.7 | 142.8 | 90.9 | 46.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1101 | S | 23.8 | Very low | 26.1 | Very low | 112 Ų | 112 | 136.9 Ų | 136.9 | 78% | 0.783 | 84% | 0.842 | S | S | * | * | trans | -20 | 129.5 | 167.1 | 52.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1102 | L | 26.3 | Very low | 25.9 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 89% | 0.885 | 85% | 0.848 | S | S | * | * | trans | -139.8 | 124.4 | 151.2 | -105.3 | 143.2 | 0 | 0 | 0 | 110.4 | ||||
| 1103 | S | 24.5 | Very low | 25.8 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 80% | 0.797 | 85% | 0.85 | S | S | * | * | trans | -76.1 | 128.1 | -173.8 | 50.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1104 | I | 25.3 | Very low | 25.8 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 86% | 0.862 | 85% | 0.849 | S | S | * | * | trans | -91.5 | 105.2 | 170 | -61.9 | 175.5 | 0 | 0 | 0 | 108.3 | ||||
| 1105 | G | 26 | Very low | 25.7 | Very low | 65 Ų | 65 | 138.3 Ų | 138.3 | 67% | 0.67 | 85% | 0.85 | S | S | * | * | trans | -76.9 | 133.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1106 | T | 22.7 | Very low | 25.6 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 92% | 0.92 | 86% | 0.856 | S | S | * | * | trans | -71 | 128 | 172 | 40.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1107 | S | 27.1 | Very low | 25.7 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 85% | 0.854 | S | S | * | * | trans | -139.5 | 132.6 | 162.6 | 53.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1108 | S | 23.8 | Very low | 25.8 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 85% | 0.853 | 85% | 0.847 | S | S | * | * | trans | -65.2 | 136.6 | -178.7 | 47.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1109 | I | 29.9 | Very low | 25.5 | Very low | 166 Ų | 166 | 135.6 Ų | 135.6 | 85% | 0.851 | 86% | 0.857 | S | S | * | * | trans | -107.2 | 126.4 | 160.8 | -61.7 | 177.8 | 0 | 0 | 0 | 106.9 | ||||
| 1110 | S | 26.3 | Very low | 25.7 | Very low | 183 Ų | 183 | 133.5 Ų | 133.5 | 100% | 1.28 | 86% | 0.858 | S | S | * | * | trans | -70.5 | 0 | 177.5 | 56 | 0 | 0 | 0 | 0 | 113 |
Retrieved 1,110 of 1,110 residues in 173.8 ms
(Link to these results)